N-methyl-4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C9H12F3N3O — CID 146152831

IUPACN-methyl-4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c(C(F)(F)F)c1C(C)C
InChIInChI=1S/C9H12F3N3O/c1-4(2)5-6(8(16)13-3)14-15-7(5)9(10,11)12/h4H,1-3H3,(H,13,16)(H,14,15)
InChIKeyUBVQPYZYSBMUBZ-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.91
Rot. Bonds2

About N-methyl-4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-methyl-4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 146152831) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is N-methyl-4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID146152831
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC NameN-methyl-4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCNC(=O)c1n[nH]c(C(F)(F)F)c1C(C)C
InChIInChI=1S/C9H12F3N3O/c1-4(2)5-6(8(16)13-3)14-15-7(5)9(10,11)12/h4H,1-3H3,(H,13,16)(H,14,15)
InChIKeyUBVQPYZYSBMUBZ-UHFFFAOYSA-N
XLogP1.91
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-methyl-4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 146152831) is N-methyl-4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is CNC(=O)c1n[nH]c(C(F)(F)F)c1C(C)C.
What is the InChIKey of N-methyl-4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is UBVQPYZYSBMUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-4(2)5-6(8(16)13-3)14-15-7(5)9(10,11)12/h4H,1-3H3,(H,13,16)(H,14,15).
What are the key properties of N-methyl-4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-methyl-4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 235.21 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propan-2-yl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 146152831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).