N-(cyclohexylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide

C18H24N4O — CID 47805355

IUPACN-(cyclohexylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCN(CC1CCCCC1)C(=O)c1cn(C)nc1-c1cccnc1
InChIInChI=1S/C18H24N4O/c1-21(12-14-7-4-3-5-8-14)18(23)16-13-22(2)20-17(16)15-9-6-10-19-11-15/h6,9-11,13-14H,3-5,7-8,12H2,1-2H3
InChIKeyDYUMVGDDYMLXLR-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.13
Rot. Bonds4

About N-(cyclohexylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-(cyclohexylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 47805355) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID47805355
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-(cyclohexylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCN(CC1CCCCC1)C(=O)c1cn(C)nc1-c1cccnc1
InChIInChI=1S/C18H24N4O/c1-21(12-14-7-4-3-5-8-14)18(23)16-13-22(2)20-17(16)15-9-6-10-19-11-15/h6,9-11,13-14H,3-5,7-8,12H2,1-2H3
InChIKeyDYUMVGDDYMLXLR-UHFFFAOYSA-N
XLogP3.13
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 47805355) is N-(cyclohexylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide is CN(CC1CCCCC1)C(=O)c1cn(C)nc1-c1cccnc1.
What is the InChIKey of N-(cyclohexylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is DYUMVGDDYMLXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21(12-14-7-4-3-5-8-14)18(23)16-13-22(2)20-17(16)15-9-6-10-19-11-15/h6,9-11,13-14H,3-5,7-8,12H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-(cyclohexylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N,1-dimethyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 47805355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).