N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-ethyl-1-phenylpyrazole-4-carboxamide

C24H27N3O3 — CID 86939949

IUPACN-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-ethyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC1CC1)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H27N3O3/c1-4-26(15-17-10-11-17)24(28)20-16-27(19-8-6-5-7-9-19)25-23(20)18-12-13-21(29-2)22(14-18)30-3/h5-9,12-14,16-17H,4,10-11,15H2,1-3H3
InChIKeyNTOVMNPJBWHJJH-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.43
Rot. Bonds8

About N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-ethyl-1-phenylpyrazole-4-carboxamide

N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-ethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 86939949) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-ethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-ethyl-1-phenylpyrazole-4-carboxamide
PubChem CID86939949
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-ethyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC1CC1)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H27N3O3/c1-4-26(15-17-10-11-17)24(28)20-16-27(19-8-6-5-7-9-19)25-23(20)18-12-13-21(29-2)22(14-18)30-3/h5-9,12-14,16-17H,4,10-11,15H2,1-3H3
InChIKeyNTOVMNPJBWHJJH-UHFFFAOYSA-N
XLogP4.43
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 112795990
N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 9296494
ethyl 1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxylate
CID 27555135
3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 55358256
(E)-N-(cyclopropylmethyl)-3-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 46543381
3-(3,4-dimethoxyphenyl)-N-methyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 18114147
N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 43012762
[1-[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469903
3-(3,4-dimethoxyphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119452890
3-(3,4-dimethoxyphenyl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
CID 26454642
3-(3,4-dimethoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 55488628
3-(3,4-dimethoxyphenyl)-1-phenyl-N'-(2-phenylacetyl)pyrazole-4-carbohydrazide
CID 25475855

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-ethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-ethyl-1-phenylpyrazole-4-carboxamide (CID 86939949) is N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-ethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-ethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-ethyl-1-phenylpyrazole-4-carboxamide is CCN(CC1CC1)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-ethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is NTOVMNPJBWHJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-4-26(15-17-10-11-17)24(28)20-16-27(19-8-6-5-7-9-19)25-23(20)18-12-13-21(29-2)22(14-18)30-3/h5-9,12-14,16-17H,4,10-11,15H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-ethyl-1-phenylpyrazole-4-carboxamide?
N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-ethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-ethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 86939949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).