N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methoxyphenyl)-N-methylpyrazole-4-carboxamide

C20H25N5O2 — CID 70776308

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methoxyphenyl)-N-methylpyrazole-4-carboxamide
SMILESCOc1ccccc1-n1cc(C(=O)N(C)CCCn2nc(C)cc2C)cn1
InChIInChI=1S/C20H25N5O2/c1-15-12-16(2)24(22-15)11-7-10-23(3)20(26)17-13-21-25(14-17)18-8-5-6-9-19(18)27-4/h5-6,8-9,12-14H,7,10-11H2,1-4H3
InChIKeyMBJBRCHNTNFOPL-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.86
Rot. Bonds7

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methoxyphenyl)-N-methylpyrazole-4-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methoxyphenyl)-N-methylpyrazole-4-carboxamide (PubChem CID 70776308) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methoxyphenyl)-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methoxyphenyl)-N-methylpyrazole-4-carboxamide
PubChem CID70776308
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methoxyphenyl)-N-methylpyrazole-4-carboxamide
SMILESCOc1ccccc1-n1cc(C(=O)N(C)CCCn2nc(C)cc2C)cn1
InChIInChI=1S/C20H25N5O2/c1-15-12-16(2)24(22-15)11-7-10-23(3)20(26)17-13-21-25(14-17)18-8-5-6-9-19(18)27-4/h5-6,8-9,12-14H,7,10-11H2,1-4H3
InChIKeyMBJBRCHNTNFOPL-UHFFFAOYSA-N
XLogP2.86
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-4-carboxamide
CID 97144985
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CID 86999468
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-4-pyrimidin-5-ylbenzamide
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N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2,6-dimethoxybenzamide
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1-(2-methoxyphenyl)-N-methyl-N-(1-pyrimidin-4-ylethyl)pyrazole-4-carboxamide
CID 70721608
4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid
CID 43090429
N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 134706069
N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 134706002
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[2-(2-methoxyphenyl)propyl]-2-methylguanidine
CID 111280553
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea
CID 72868270
4-(2-methoxyphenyl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 77081979
[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97144723

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methoxyphenyl)-N-methylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methoxyphenyl)-N-methylpyrazole-4-carboxamide (CID 70776308) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methoxyphenyl)-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methoxyphenyl)-N-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methoxyphenyl)-N-methylpyrazole-4-carboxamide is COc1ccccc1-n1cc(C(=O)N(C)CCCn2nc(C)cc2C)cn1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methoxyphenyl)-N-methylpyrazole-4-carboxamide?
The InChIKey is MBJBRCHNTNFOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-15-12-16(2)24(22-15)11-7-10-23(3)20(26)17-13-21-25(14-17)18-8-5-6-9-19(18)27-4/h5-6,8-9,12-14H,7,10-11H2,1-4H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methoxyphenyl)-N-methylpyrazole-4-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methoxyphenyl)-N-methylpyrazole-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(2-methoxyphenyl)-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 70776308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).