N-cyclopropyl-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide

C17H22N4O — CID 70760646

IUPACN-cyclopropyl-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)N(Cc2ccncc2)C2CC2)n(C)n1
InChIInChI=1S/C17H22N4O/c1-3-4-14-11-16(20(2)19-14)17(22)21(15-5-6-15)12-13-7-9-18-10-8-13/h7-11,15H,3-6,12H2,1-2H3
InChIKeyIKHWOVFMTACFEX-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.57
Rot. Bonds6

About N-cyclopropyl-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide

N-cyclopropyl-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide (PubChem CID 70760646) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
PubChem CID70760646
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-cyclopropyl-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)N(Cc2ccncc2)C2CC2)n(C)n1
InChIInChI=1S/C17H22N4O/c1-3-4-14-11-16(20(2)19-14)17(22)21(15-5-6-15)12-13-7-9-18-10-8-13/h7-11,15H,3-6,12H2,1-2H3
InChIKeyIKHWOVFMTACFEX-UHFFFAOYSA-N
XLogP2.57
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide (CID 70760646) is N-cyclopropyl-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide is CCCc1cc(C(=O)N(Cc2ccncc2)C2CC2)n(C)n1.
What is the InChIKey of N-cyclopropyl-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is IKHWOVFMTACFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-4-14-11-16(20(2)19-14)17(22)21(15-5-6-15)12-13-7-9-18-10-8-13/h7-11,15H,3-6,12H2,1-2H3.
What are the key properties of N-cyclopropyl-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?
N-cyclopropyl-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-3-propyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70760646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).