4-chloro-N-cyclopropyl-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C14H15ClF3N5O — CID 50965006

IUPAC4-chloro-N-cyclopropyl-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1ccnc1CN(C(=O)c1c(Cl)c(C(F)(F)F)nn1C)C1CC1
InChIInChI=1S/C14H15ClF3N5O/c1-21-6-5-19-9(21)7-23(8-3-4-8)13(24)11-10(15)12(14(16,17)18)20-22(11)2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyQSJVFHFJVDEPIC-UHFFFAOYSA-N
MW361.76 g/mol
LogP2.63
Rot. Bonds4

About 4-chloro-N-cyclopropyl-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

4-chloro-N-cyclopropyl-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 50965006) has the molecular formula C14H15ClF3N5O and a molecular weight of 361.76 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID50965006
Molecular FormulaC14H15ClF3N5O
Molecular Weight361.76 g/mol
Exact Mass361.09
IUPAC Name4-chloro-N-cyclopropyl-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1ccnc1CN(C(=O)c1c(Cl)c(C(F)(F)F)nn1C)C1CC1
InChIInChI=1S/C14H15ClF3N5O/c1-21-6-5-19-9(21)7-23(8-3-4-8)13(24)11-10(15)12(14(16,17)18)20-22(11)2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyQSJVFHFJVDEPIC-UHFFFAOYSA-N
XLogP2.63
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.76
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-cyclopropyl-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 53599381
3-(2-Cyclopropyl-5-methyl-1H-imidazol-1-YL)-1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)piperidine
CID 124046224
4-chloro-N-(3-imidazol-1-ylpropyl)-2,5-dimethylpyrazole-3-carboxamide
CID 4772684
4-chloro-N-(1H-imidazol-2-ylmethyl)-N,1-dimethyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 56864147
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 97277360
4-chloro-1-methyl-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 119059694
4-chloro-N-[(1-cyclopropyl-1H-imidazol-5-yl)methyl]-1-methyl-1H-pyrazole-3-carboxamide
CID 129613517
4-chloro-N-(cyclopropylmethyl)-2-methyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 146191561
1,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 8049426
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide
CID 45153898
4-chloro-N,1-dimethyl-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 50965879
4-chloro-1-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 56757565

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-cyclopropyl-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 50965006) is 4-chloro-N-cyclopropyl-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1ccnc1CN(C(=O)c1c(Cl)c(C(F)(F)F)nn1C)C1CC1.
What is the InChIKey of 4-chloro-N-cyclopropyl-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is QSJVFHFJVDEPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N5O/c1-21-6-5-19-9(21)7-23(8-3-4-8)13(24)11-10(15)12(14(16,17)18)20-22(11)2/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 4-chloro-N-cyclopropyl-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-N-cyclopropyl-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 361.76 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 50965006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).