N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

C16H16F3N3O — CID 78851238

IUPACN-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cn1
InChIInChI=1S/C16H16F3N3O/c1-21-10-12(8-20-21)15(23)22(14-6-7-14)9-11-2-4-13(5-3-11)16(17,18)19/h2-5,8,10,14H,6-7,9H2,1H3
InChIKeyVEOBNSIRPYSPCD-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.24
Rot. Bonds4

About N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 78851238) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID78851238
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC NameN-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cn1
InChIInChI=1S/C16H16F3N3O/c1-21-10-12(8-20-21)15(23)22(14-6-7-14)9-11-2-4-13(5-3-11)16(17,18)19/h2-5,8,10,14H,6-7,9H2,1H3
InChIKeyVEOBNSIRPYSPCD-UHFFFAOYSA-N
XLogP3.24
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-methyl-6-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
CID 71909108
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 91762125
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide
CID 166280015
N-cyclopropyl-4-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 38532650
N-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 134004426
3-chloro-N-cyclopropyl-4-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 56702352
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(6-methylpyridazin-3-yl)benzamide
CID 166280018
N,1-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 86924886
N-cyclopropyl-4-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42820527
2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
CID 54926515
4-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 103023880
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide
CID 38371299

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 78851238) is N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is Cn1cc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cn1.
What is the InChIKey of N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is VEOBNSIRPYSPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-21-10-12(8-20-21)15(23)22(14-6-7-14)9-11-2-4-13(5-3-11)16(17,18)19/h2-5,8,10,14H,6-7,9H2,1H3.
What are the key properties of N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 323.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 78851238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).