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

C19H19N3O2 — CID 165126942

IUPACN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1cnn(CC2CCCO2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C19H19N3O2/c23-19(16-8-7-14-4-1-2-5-15(14)10-16)21-17-11-20-22(12-17)13-18-6-3-9-24-18/h1-2,4-5,7-8,10-12,18H,3,6,9,13H2,(H,21,23)
InChIKeyNNFOOZKFQRTEDD-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.47
Rot. Bonds4

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

N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide (PubChem CID 165126942) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
PubChem CID165126942
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
SMILESO=C(Nc1cnn(CC2CCCO2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C19H19N3O2/c23-19(16-8-7-14-4-1-2-5-15(14)10-16)21-17-11-20-22(12-17)13-18-6-3-9-24-18/h1-2,4-5,7-8,10-12,18H,3,6,9,13H2,(H,21,23)
InChIKeyNNFOOZKFQRTEDD-UHFFFAOYSA-N
XLogP3.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 95749448
1-ethyl-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]indole-2-carboxamide
CID 95143710
4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 129354398
3-fluoro-4-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 86999899
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]indolizine-2-carboxamide
CID 129355829
4-[(carbamoylamino)methyl]-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 136578207
3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129356187
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 60782178
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 129354391
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-pyrazin-2-yloxybenzamide
CID 136526765
2-bromo-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129354375

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide (CID 165126942) is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide is O=C(Nc1cnn(CC2CCCO2)c1)c1ccc2ccccc2c1.
What is the InChIKey of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide?
The InChIKey is NNFOOZKFQRTEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19(16-8-7-14-4-1-2-5-15(14)10-16)21-17-11-20-22(12-17)13-18-6-3-9-24-18/h1-2,4-5,7-8,10-12,18H,3,6,9,13H2,(H,21,23).
What are the key properties of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide?
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 165126942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).