N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide

C18H17N3O — CID 95749448

IUPACN-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1cnn(CC2CC2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C18H17N3O/c22-18(16-8-7-14-3-1-2-4-15(14)9-16)20-17-10-19-21(12-17)11-13-5-6-13/h1-4,7-10,12-13H,5-6,11H2,(H,20,22)
InChIKeyBVVNOTAHPXBASV-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.70
Rot. Bonds4

About N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide

N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide (PubChem CID 95749448) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
PubChem CID95749448
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1cnn(CC2CC2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C18H17N3O/c22-18(16-8-7-14-3-1-2-4-15(14)9-16)20-17-10-19-21(12-17)11-13-5-6-13/h1-4,7-10,12-13H,5-6,11H2,(H,20,22)
InChIKeyBVVNOTAHPXBASV-UHFFFAOYSA-N
XLogP3.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 165126942
4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide
CID 95749420
3-(2-aminocyclopropyl)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide
CID 118304860
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide
CID 90622137
[2-[3-[[1-(cyclopropylmethyl)pyrazol-4-yl]carbamoyl]phenyl]cyclopropyl]carbamic acid
CID 118305146
4-bromo-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622120
4-[[1-(cyclopropylmethyl)pyrazole-4-carbonyl]amino]benzoic acid
CID 146136886
3-[2-(cyclopropylmethylamino)cyclopropyl]-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide;dihydrochloride
CID 118304420
4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622047
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95749180
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 95749422
cyclopropylmethyl-[(1R,2S)-2-[3-[[1-(cyclopropylmethyl)pyrazol-4-yl]carbamoyl]phenyl]cyclopropyl]carbamic acid
CID 118304410

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide (CID 95749448) is N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide is O=C(Nc1cnn(CC2CC2)c1)c1ccc2ccccc2c1.
What is the InChIKey of N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide?
The InChIKey is BVVNOTAHPXBASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c22-18(16-8-7-14-3-1-2-4-15(14)9-16)20-17-10-19-21(12-17)11-13-5-6-13/h1-4,7-10,12-13H,5-6,11H2,(H,20,22).
What are the key properties of N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide?
N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 95749448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).