N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide

C9H10F3N3O — CID 166190086

IUPACN-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide
SMILESCc1c(NC(=O)C2CC2)n[nH]c1C(F)(F)F
InChIInChI=1S/C9H10F3N3O/c1-4-6(9(10,11)12)14-15-7(4)13-8(16)5-2-3-5/h5H,2-3H2,1H3,(H2,13,14,15,16)
InChIKeyMORIKPKVTWCGRU-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.09
Rot. Bonds2

About N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide

N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 166190086) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID166190086
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC NameN-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide
SMILESCc1c(NC(=O)C2CC2)n[nH]c1C(F)(F)F
InChIInChI=1S/C9H10F3N3O/c1-4-6(9(10,11)12)14-15-7(4)13-8(16)5-2-3-5/h5H,2-3H2,1H3,(H2,13,14,15,16)
InChIKeyMORIKPKVTWCGRU-UHFFFAOYSA-N
XLogP2.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide (CID 166190086) is N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide is Cc1c(NC(=O)C2CC2)n[nH]c1C(F)(F)F.
What is the InChIKey of N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is MORIKPKVTWCGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-4-6(9(10,11)12)14-15-7(4)13-8(16)5-2-3-5/h5H,2-3H2,1H3,(H2,13,14,15,16).
What are the key properties of N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide?
N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 233.19 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 166190086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).