N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C24H23F3N4O2 — CID 46565770

IUPACN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H23F3N4O2/c1-15-21(13-28-31(15)20-5-3-4-18(12-20)24(25,26)27)23(33)30(2)14-16-6-8-17(9-7-16)22(32)29-19-10-11-19/h3-9,12-13,19H,10-11,14H2,1-2H3,(H,29,32)
InChIKeyWMSFDTGOAVEXKP-UHFFFAOYSA-N
MW456.47 g/mol
LogP4.36
Rot. Bonds6

About N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 46565770) has the molecular formula C24H23F3N4O2 and a molecular weight of 456.47 g/mol. Its IUPAC name is N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID46565770
Molecular FormulaC24H23F3N4O2
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC NameN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H23F3N4O2/c1-15-21(13-28-31(15)20-5-3-4-18(12-20)24(25,26)27)23(33)30(2)14-16-6-8-17(9-7-16)22(32)29-19-10-11-19/h3-9,12-13,19H,10-11,14H2,1-2H3,(H,29,32)
InChIKeyWMSFDTGOAVEXKP-UHFFFAOYSA-N
XLogP4.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 30766739
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 30767127
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-pyrrol-1-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55583430
N-(1-ethylpiperidin-4-yl)-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 86989029
N,5-dicyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51077946
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 46565897
N-cyclohexyl-N-cyclopropyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 47024593
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 36746441
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 119458219
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 119384459
N,5-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 78850481

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 46565770) is N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is WMSFDTGOAVEXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O2/c1-15-21(13-28-31(15)20-5-3-4-18(12-20)24(25,26)27)23(33)30(2)14-16-6-8-17(9-7-16)22(32)29-19-10-11-19/h3-9,12-13,19H,10-11,14H2,1-2H3,(H,29,32).
What are the key properties of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 46565770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).