N-cyclohexyl-2-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butanamide

C19H26N4O — CID 72844183

IUPACN-cyclohexyl-2-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butanamide
SMILESCCC(C(=O)N(Cc1ccccn1)C1CCCCC1)n1cccn1
InChIInChI=1S/C19H26N4O/c1-2-18(23-14-8-13-21-23)19(24)22(17-10-4-3-5-11-17)15-16-9-6-7-12-20-16/h6-9,12-14,17-18H,2-5,10-11,15H2,1H3
InChIKeyKMWNALIISFDWLD-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.59
Rot. Bonds6

About N-cyclohexyl-2-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butanamide

N-cyclohexyl-2-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 72844183) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-cyclohexyl-2-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butanamide
PubChem CID72844183
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-cyclohexyl-2-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butanamide
SMILESCCC(C(=O)N(Cc1ccccn1)C1CCCCC1)n1cccn1
InChIInChI=1S/C19H26N4O/c1-2-18(23-14-8-13-21-23)19(24)22(17-10-4-3-5-11-17)15-16-9-6-7-12-20-16/h6-9,12-14,17-18H,2-5,10-11,15H2,1H3
InChIKeyKMWNALIISFDWLD-UHFFFAOYSA-N
XLogP3.59
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of N-cyclohexyl-2-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butanamide (CID 72844183) is N-cyclohexyl-2-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for N-cyclohexyl-2-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for N-cyclohexyl-2-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butanamide is CCC(C(=O)N(Cc1ccccn1)C1CCCCC1)n1cccn1.
What is the InChIKey of N-cyclohexyl-2-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is KMWNALIISFDWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-2-18(23-14-8-13-21-23)19(24)22(17-10-4-3-5-11-17)15-16-9-6-7-12-20-16/h6-9,12-14,17-18H,2-5,10-11,15H2,1H3.
What are the key properties of N-cyclohexyl-2-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butanamide?
N-cyclohexyl-2-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 326.44 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 72844183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).