5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-3-carboxamide

C16H19N3O3 — CID 46642727

IUPAC5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C3CC3)[nH]n2)cc1OC
InChIInChI=1S/C16H19N3O3/c1-21-14-6-3-10(7-15(14)22-2)9-17-16(20)13-8-12(18-19-13)11-4-5-11/h3,6-8,11H,4-5,9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyNCZAYGIXXDXNQY-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.23
Rot. Bonds6

About 5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 46642727) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID46642727
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C3CC3)[nH]n2)cc1OC
InChIInChI=1S/C16H19N3O3/c1-21-14-6-3-10(7-15(14)22-2)9-17-16(20)13-8-12(18-19-13)11-4-5-11/h3,6-8,11H,4-5,9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyNCZAYGIXXDXNQY-UHFFFAOYSA-N
XLogP2.23
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 37292469
6-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109109847
N-[(3-methoxy-4-propoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 60508401
N-[(3,4-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388851
5-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109180086
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 62082800
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 62234893
2-(cyclopentylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109297894
6-(cyclohexylamino)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109363819
3-amino-N-[(3,4-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 46673346
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51143128
N-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111768

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-3-carboxamide (CID 46642727) is 5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-3-carboxamide is COc1ccc(CNC(=O)c2cc(C3CC3)[nH]n2)cc1OC.
What is the InChIKey of 5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is NCZAYGIXXDXNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-21-14-6-3-10(7-15(14)22-2)9-17-16(20)13-8-12(18-19-13)11-4-5-11/h3,6-8,11H,4-5,9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 46642727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).