5-cyclopropyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide

C16H16N6O — CID 46481157

IUPAC5-cyclopropyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1ccnc(-n2cccn2)c1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H16N6O/c23-16(14-9-13(20-21-14)12-2-3-12)18-10-11-4-6-17-15(8-11)22-7-1-5-19-22/h1,4-9,12H,2-3,10H2,(H,18,23)(H,20,21)
InChIKeyBUGHACJDHRLPAV-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.80
Rot. Bonds5

About 5-cyclopropyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 46481157) has the molecular formula C16H16N6O and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID46481157
Molecular FormulaC16H16N6O
Molecular Weight308.34 g/mol
Exact Mass308.14
IUPAC Name5-cyclopropyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1ccnc(-n2cccn2)c1)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H16N6O/c23-16(14-9-13(20-21-14)12-2-3-12)18-10-11-4-6-17-15(8-11)22-7-1-5-19-22/h1,4-9,12H,2-3,10H2,(H,18,23)(H,20,21)
InChIKeyBUGHACJDHRLPAV-UHFFFAOYSA-N
XLogP1.80
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120632675
5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 46642727
5-chloro-2-iodo-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide
CID 55690439
3-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119846913
5-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1H-indazole-3-carboxamide
CID 78866292
N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119846944
4-N,4-N-dimethyl-1-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 87004175
(2S,5R)-5-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxolane-2-carboxamide;dihydrochloride
CID 120797953
(3S)-1-methylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-3-carboxamide
CID 51943461
(3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 94030798
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 168892581
5-cyclopropyl-N-[(2-methyl-6-pyrrolidin-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
CID 139003597

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide (CID 46481157) is 5-cyclopropyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide is O=C(NCc1ccnc(-n2cccn2)c1)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is BUGHACJDHRLPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c23-16(14-9-13(20-21-14)12-2-3-12)18-10-11-4-6-17-15(8-11)22-7-1-5-19-22/h1,4-9,12H,2-3,10H2,(H,18,23)(H,20,21).
What are the key properties of 5-cyclopropyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 46481157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).