2-benzyl-N-(1-pyridin-4-ylpyrazol-4-yl)cyclopropane-1-carboxamide

C19H18N4O — CID 166233965

IUPAC2-benzyl-N-(1-pyridin-4-ylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cnn(-c2ccncc2)c1)C1CC1Cc1ccccc1
InChIInChI=1S/C19H18N4O/c24-19(18-11-15(18)10-14-4-2-1-3-5-14)22-16-12-21-23(13-16)17-6-8-20-9-7-17/h1-9,12-13,15,18H,10-11H2,(H,22,24)
InChIKeyQQYVQQCHHZXICS-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.08
Rot. Bonds5

About 2-benzyl-N-(1-pyridin-4-ylpyrazol-4-yl)cyclopropane-1-carboxamide

2-benzyl-N-(1-pyridin-4-ylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 166233965) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-benzyl-N-(1-pyridin-4-ylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(1-pyridin-4-ylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID166233965
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name2-benzyl-N-(1-pyridin-4-ylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cnn(-c2ccncc2)c1)C1CC1Cc1ccccc1
InChIInChI=1S/C19H18N4O/c24-19(18-11-15(18)10-14-4-2-1-3-5-14)22-16-12-21-23(13-16)17-6-8-20-9-7-17/h1-9,12-13,15,18H,10-11H2,(H,22,24)
InChIKeyQQYVQQCHHZXICS-UHFFFAOYSA-N
XLogP3.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-benzyl-N-phenylcyclopropane-1-carboxamide
CID 899834
N-(1-pyridin-4-ylpyrazol-4-yl)benzamide
CID 110471191
6-amino-N-(1-pyridin-4-ylpyrazol-4-yl)bicyclo[3.2.0]heptane-3-carboxamide
CID 138010255
N-(1-phenylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119305780
9-amino-N-(1-phenylpyrazol-4-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120987708
2-(methylamino)-N-(1-pyridin-4-ylpyrazol-4-yl)acetamide
CID 110470511
2,2,2-trifluoro-N-(1-pyridin-4-ylpyrazol-4-yl)acetamide
CID 110470975
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014209
2-(1-hydroxycyclopentyl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 111432531
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
6-methyl-N-(1-pyridin-4-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 110472224

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(1-pyridin-4-ylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-benzyl-N-(1-pyridin-4-ylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 166233965) is 2-benzyl-N-(1-pyridin-4-ylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-benzyl-N-(1-pyridin-4-ylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-benzyl-N-(1-pyridin-4-ylpyrazol-4-yl)cyclopropane-1-carboxamide is O=C(Nc1cnn(-c2ccncc2)c1)C1CC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-(1-pyridin-4-ylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is QQYVQQCHHZXICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c24-19(18-11-15(18)10-14-4-2-1-3-5-14)22-16-12-21-23(13-16)17-6-8-20-9-7-17/h1-9,12-13,15,18H,10-11H2,(H,22,24).
What are the key properties of 2-benzyl-N-(1-pyridin-4-ylpyrazol-4-yl)cyclopropane-1-carboxamide?
2-benzyl-N-(1-pyridin-4-ylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(1-pyridin-4-ylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 166233965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).