N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-oxo-1H-pyridin-3-yl)propanamide

C18H24N4O2 — CID 122147713

IUPACN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-oxo-1H-pyridin-3-yl)propanamide
SMILESO=C(CCc1ccc(=O)[nH]c1)Nc1cc(CC2CCCCC2)[nH]n1
InChIInChI=1S/C18H24N4O2/c23-17-8-6-14(12-19-17)7-9-18(24)20-16-11-15(21-22-16)10-13-4-2-1-3-5-13/h6,8,11-13H,1-5,7,9-10H2,(H,19,23)(H2,20,21,22,24)
InChIKeyVXVJPJDLHRIKIZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.79
Rot. Bonds6

About N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-oxo-1H-pyridin-3-yl)propanamide

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-oxo-1H-pyridin-3-yl)propanamide (PubChem CID 122147713) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-oxo-1H-pyridin-3-yl)propanamide.

Molecular Properties

Compound NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-oxo-1H-pyridin-3-yl)propanamide
PubChem CID122147713
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-oxo-1H-pyridin-3-yl)propanamide
SMILESO=C(CCc1ccc(=O)[nH]c1)Nc1cc(CC2CCCCC2)[nH]n1
InChIInChI=1S/C18H24N4O2/c23-17-8-6-14(12-19-17)7-9-18(24)20-16-11-15(21-22-16)10-13-4-2-1-3-5-13/h6,8,11-13H,1-5,7,9-10H2,(H,19,23)(H2,20,21,22,24)
InChIKeyVXVJPJDLHRIKIZ-UHFFFAOYSA-N
XLogP2.79
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-oxo-1H-pyridin-3-yl)propanamide?
The IUPAC name of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-oxo-1H-pyridin-3-yl)propanamide (CID 122147713) is N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-oxo-1H-pyridin-3-yl)propanamide.
What is the SMILES notation for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-oxo-1H-pyridin-3-yl)propanamide?
The canonical SMILES for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-oxo-1H-pyridin-3-yl)propanamide is O=C(CCc1ccc(=O)[nH]c1)Nc1cc(CC2CCCCC2)[nH]n1.
What is the InChIKey of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-oxo-1H-pyridin-3-yl)propanamide?
The InChIKey is VXVJPJDLHRIKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-17-8-6-14(12-19-17)7-9-18(24)20-16-11-15(21-22-16)10-13-4-2-1-3-5-13/h6,8,11-13H,1-5,7,9-10H2,(H,19,23)(H2,20,21,22,24).
What are the key properties of N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-oxo-1H-pyridin-3-yl)propanamide?
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-oxo-1H-pyridin-3-yl)propanamide has a molecular weight of 328.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(6-oxo-1H-pyridin-3-yl)propanamide is sourced from PubChem (CID 122147713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).