N-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide

C20H27N3O3 — CID 121083958

IUPACN-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NCC3CCCCC3)n(C)n2)c1
InChIInChI=1S/C20H27N3O3/c1-23-18(20(24)21-13-14-7-5-4-6-8-14)12-17(22-23)16-11-15(25-2)9-10-19(16)26-3/h9-12,14H,4-8,13H2,1-3H3,(H,21,24)
InChIKeyFRXAIXRQATWZCG-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.41
Rot. Bonds6

About N-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide

N-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 121083958) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID121083958
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NCC3CCCCC3)n(C)n2)c1
InChIInChI=1S/C20H27N3O3/c1-23-18(20(24)21-13-14-7-5-4-6-8-14)12-17(22-23)16-11-15(25-2)9-10-19(16)26-3/h9-12,14H,4-8,13H2,1-3H3,(H,21,24)
InChIKeyFRXAIXRQATWZCG-UHFFFAOYSA-N
XLogP3.41
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,5-dimethoxyphenyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 121083972
3-(2,4-dimethoxyphenyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
CID 42879342
3-(2,5-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121084117
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121137872
3-(2,5-dimethoxyphenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 121122834
3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]pyrazole-5-carboxamide
CID 90579434
3-(2,5-dimethoxyphenyl)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-5-carboxamide
CID 90633367
3-(2,5-dimethoxyphenyl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121120921
3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]pyrazole-5-carboxamide
CID 122294915
N-(1H-benzimidazol-2-ylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121083943
3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyrazole-5-carboxamide
CID 121165342
N-[2-[4-cyclopropyl-3-(furan-2-yl)-5-oxo-1,2,4-triazol-1-yl]ethyl]-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121116293

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide (CID 121083958) is N-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)NCC3CCCCC3)n(C)n2)c1.
What is the InChIKey of N-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is FRXAIXRQATWZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-23-18(20(24)21-13-14-7-5-4-6-8-14)12-17(22-23)16-11-15(25-2)9-10-19(16)26-3/h9-12,14H,4-8,13H2,1-3H3,(H,21,24).
What are the key properties of N-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide?
N-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 121083958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).