N-butyl-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide

C22H25N3O2 — CID 18109631

IUPACN-butyl-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide
SMILESCCCCN(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C22H25N3O2/c1-4-5-15-24(2)22(26)20-16-25(18-9-7-6-8-10-18)23-21(20)17-11-13-19(27-3)14-12-17/h6-14,16H,4-5,15H2,1-3H3
InChIKeyMNFCSOHGANWDPJ-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.42
Rot. Bonds7

About N-butyl-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide

N-butyl-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 18109631) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-butyl-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID18109631
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-butyl-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide
SMILESCCCCN(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C22H25N3O2/c1-4-5-15-24(2)22(26)20-16-25(18-9-7-6-8-10-18)23-21(20)17-11-13-19(27-3)14-12-17/h6-14,16H,4-5,15H2,1-3H3
InChIKeyMNFCSOHGANWDPJ-UHFFFAOYSA-N
XLogP4.42
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 18205735
N-butyl-4-(3,4-dimethoxyphenyl)-N-methyl-1-phenylpyrazole-3-carboxamide
CID 18149038
3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 55358256
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 18204409
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 2475115
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
N-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55576920
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methoxy-N-methylbenzamide
CID 18292471
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200826
3-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-2-phenylpropanoic acid
CID 154750619
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70687976
methyl 4-[methyl-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]butanoate
CID 36626711

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-butyl-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide (CID 18109631) is N-butyl-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-butyl-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-butyl-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide is CCCCN(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1.
What is the InChIKey of N-butyl-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is MNFCSOHGANWDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-4-5-15-24(2)22(26)20-16-25(18-9-7-6-8-10-18)23-21(20)17-11-13-19(27-3)14-12-17/h6-14,16H,4-5,15H2,1-3H3.
What are the key properties of N-butyl-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide?
N-butyl-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 18109631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).