N-[1,1-dicyclopropyl-3-[4-(3,5-diethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide

C29H38N6O2 — CID 167148925

IUPACN-[1,1-dicyclopropyl-3-[4-(3,5-diethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)NC(C(=O)Nc1ccc(-c2c(CC)n[nH]c2CC)cc1)C(C1CC1)C1CC1
InChIInChI=1S/C29H38N6O2/c1-4-17-35-24(15-16-30-35)28(36)32-27(25(18-7-8-18)19-9-10-19)29(37)31-21-13-11-20(12-14-21)26-22(5-2)33-34-23(26)6-3/h11-16,18-19,25,27H,4-10,17H2,1-3H3,(H,31,37)(H,32,36)(H,33,34)
InChIKeyDUUCRRAWHWGVJT-UHFFFAOYSA-N
MW502.66 g/mol
LogP4.98
Rot. Bonds12

About N-[1,1-dicyclopropyl-3-[4-(3,5-diethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide

N-[1,1-dicyclopropyl-3-[4-(3,5-diethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide (PubChem CID 167148925) has the molecular formula C29H38N6O2 and a molecular weight of 502.66 g/mol. Its IUPAC name is N-[1,1-dicyclopropyl-3-[4-(3,5-diethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1,1-dicyclopropyl-3-[4-(3,5-diethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide
PubChem CID167148925
Molecular FormulaC29H38N6O2
Molecular Weight502.66 g/mol
Exact Mass502.31
IUPAC NameN-[1,1-dicyclopropyl-3-[4-(3,5-diethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide
SMILESCCCn1nccc1C(=O)NC(C(=O)Nc1ccc(-c2c(CC)n[nH]c2CC)cc1)C(C1CC1)C1CC1
InChIInChI=1S/C29H38N6O2/c1-4-17-35-24(15-16-30-35)28(36)32-27(25(18-7-8-18)19-9-10-19)29(37)31-21-13-11-20(12-14-21)26-22(5-2)33-34-23(26)6-3/h11-16,18-19,25,27H,4-10,17H2,1-3H3,(H,31,37)(H,32,36)(H,33,34)
InChIKeyDUUCRRAWHWGVJT-UHFFFAOYSA-N
XLogP4.98
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.66
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide
CID 168869093
N-[1,1-dicyclopropyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-(3-methoxypropyl)pyrazole-3-carboxamide
CID 168869055
N-[(2S)-1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-(4,4,4-trifluoro-3-hydroxybutyl)pyrazole-3-carboxamide
CID 156779197
N-[(2S)-1,1-dicyclohexyl-3-[[6-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-(2-methoxyethyl)pyrazole-3-carboxamide
CID 175433171
N-[(2S)-1,1-dicyclopropyl-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-(2-hydroxypropyl)pyrazole-3-carboxamide
CID 156779255
N-[(2S)-1,1-dicyclohexyl-3-[[5-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide
CID 175433353
N-[(2S)-1,1-dicyclohexyl-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-(3-methylsulfinylpropyl)pyrazole-3-carboxamide
CID 175433038
[4-[4-[[(2S)-3,3-dicyclopropyl-2-[(2-ethylpyrazole-3-carbonyl)amino]propanoyl]amino]phenyl]-3,5-dimethylpyrazol-1-yl]methyl dihydrogen phosphate
CID 151038071
N-[1,1-dicyclopropyl-3-[4-[3,5-dicyclopropyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 156779449
N-[(2S)-1,1-dicyclopropyl-3-[4-[3-methyl-5-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 156779287
N-[(2S)-1,1-dicyclopropyl-3-[[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide
CID 168869057
N-[(2S)-1,1-dicyclopropyl-3-[[6-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxy-3-pyridinyl]amino]-3-oxopropan-2-yl]-2-ethylpyrazole-3-carboxamide
CID 166888775

Frequently Asked Questions

What is the IUPAC name of N-[1,1-dicyclopropyl-3-[4-(3,5-diethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide?
The IUPAC name of N-[1,1-dicyclopropyl-3-[4-(3,5-diethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide (CID 167148925) is N-[1,1-dicyclopropyl-3-[4-(3,5-diethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1,1-dicyclopropyl-3-[4-(3,5-diethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide?
The canonical SMILES for N-[1,1-dicyclopropyl-3-[4-(3,5-diethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide is CCCn1nccc1C(=O)NC(C(=O)Nc1ccc(-c2c(CC)n[nH]c2CC)cc1)C(C1CC1)C1CC1.
What is the InChIKey of N-[1,1-dicyclopropyl-3-[4-(3,5-diethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide?
The InChIKey is DUUCRRAWHWGVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O2/c1-4-17-35-24(15-16-30-35)28(36)32-27(25(18-7-8-18)19-9-10-19)29(37)31-21-13-11-20(12-14-21)26-22(5-2)33-34-23(26)6-3/h11-16,18-19,25,27H,4-10,17H2,1-3H3,(H,31,37)(H,32,36)(H,33,34).
What are the key properties of N-[1,1-dicyclopropyl-3-[4-(3,5-diethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide?
N-[1,1-dicyclopropyl-3-[4-(3,5-diethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide has a molecular weight of 502.66 g/mol, XLogP of 4.98, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1-dicyclopropyl-3-[4-(3,5-diethyl-1H-pyrazol-4-yl)anilino]-3-oxopropan-2-yl]-2-propylpyrazole-3-carboxamide is sourced from PubChem (CID 167148925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).