cis-(1R,2S)-N-[3-[[1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C23H26N4O3 — CID 95773199

IUPACcis-(1R,2S)-N-[3-[[1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCc1cc(C)cc(-n2nc(-c3ccco3)cc2NC(=O)CCNC(=O)[C@@H]2C[C@@H]2C)c1
InChIInChI=1S/C23H26N4O3/c1-14-9-15(2)11-17(10-14)27-21(13-19(26-27)20-5-4-8-30-20)25-22(28)6-7-24-23(29)18-12-16(18)3/h4-5,8-11,13,16,18H,6-7,12H2,1-3H3,(H,24,29)(H,25,28)/t16-,18+/m0/s1
InChIKeyOGTNRTGYIWESAJ-FUHWJXTLSA-N
MW406.49 g/mol
LogP3.85
Rot. Bonds7

About cis-(1R,2S)-N-[3-[[1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

cis-(1R,2S)-N-[3-[[1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 95773199) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is cis-(1R,2S)-N-[3-[[1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[3-[[1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID95773199
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Namecis-(1R,2S)-N-[3-[[1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCc1cc(C)cc(-n2nc(-c3ccco3)cc2NC(=O)CCNC(=O)[C@@H]2C[C@@H]2C)c1
InChIInChI=1S/C23H26N4O3/c1-14-9-15(2)11-17(10-14)27-21(13-19(26-27)20-5-4-8-30-20)25-22(28)6-7-24-23(29)18-12-16(18)3/h4-5,8-11,13,16,18H,6-7,12H2,1-3H3,(H,24,29)(H,25,28)/t16-,18+/m0/s1
InChIKeyOGTNRTGYIWESAJ-FUHWJXTLSA-N
XLogP3.85
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]hexanamide
CID 46087835
N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-4-phenoxybutanamide
CID 83278592
3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide
CID 3661667
2-cyclopentyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]acetamide
CID 136614933
N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylpropanamide
CID 74797561
cis-(1R,2S)-N-[3-[3-(4-ethyl-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 32580350
cis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 94796874
(2,6-dimethylmorpholin-4-yl)-[3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]methanone
CID 5233267
3-cyclopentyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide
CID 135955368
3-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide
CID 136606405
3-(furan-2-yl)-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 1053861
3-cyclohexyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide
CID 136614810

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[3-[[1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[3-[[1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 95773199) is cis-(1R,2S)-N-[3-[[1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[3-[[1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[3-[[1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is Cc1cc(C)cc(-n2nc(-c3ccco3)cc2NC(=O)CCNC(=O)[C@@H]2C[C@@H]2C)c1.
What is the InChIKey of cis-(1R,2S)-N-[3-[[1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is OGTNRTGYIWESAJ-FUHWJXTLSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-14-9-15(2)11-17(10-14)27-21(13-19(26-27)20-5-4-8-30-20)25-22(28)6-7-24-23(29)18-12-16(18)3/h4-5,8-11,13,16,18H,6-7,12H2,1-3H3,(H,24,29)(H,25,28)/t16-,18+/m0/s1.
What are the key properties of cis-(1R,2S)-N-[3-[[1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-[3-[[1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[3-[[1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-yl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 95773199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).