N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide

C14H21F3N4O — CID 128985913

IUPACN-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
SMILESCC(C)c1[nH]ncc1C(=O)NC1CCC(C(F)(F)F)N(C)C1
InChIInChI=1S/C14H21F3N4O/c1-8(2)12-10(6-18-20-12)13(22)19-9-4-5-11(14(15,16)17)21(3)7-9/h6,8-9,11H,4-5,7H2,1-3H3,(H,18,20)(H,19,22)
InChIKeyRKVNHVHTVGLTLM-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.29
Rot. Bonds3

About N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide

N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 128985913) has the molecular formula C14H21F3N4O and a molecular weight of 318.34 g/mol. Its IUPAC name is N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
PubChem CID128985913
Molecular FormulaC14H21F3N4O
Molecular Weight318.34 g/mol
Exact Mass318.17
IUPAC NameN-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
SMILESCC(C)c1[nH]ncc1C(=O)NC1CCC(C(F)(F)F)N(C)C1
InChIInChI=1S/C14H21F3N4O/c1-8(2)12-10(6-18-20-12)13(22)19-9-4-5-11(14(15,16)17)21(3)7-9/h6,8-9,11H,4-5,7H2,1-3H3,(H,18,20)(H,19,22)
InChIKeyRKVNHVHTVGLTLM-UHFFFAOYSA-N
XLogP2.29
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide (CID 128985913) is N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide is CC(C)c1[nH]ncc1C(=O)NC1CCC(C(F)(F)F)N(C)C1.
What is the InChIKey of N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is RKVNHVHTVGLTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O/c1-8(2)12-10(6-18-20-12)13(22)19-9-4-5-11(14(15,16)17)21(3)7-9/h6,8-9,11H,4-5,7H2,1-3H3,(H,18,20)(H,19,22).
What are the key properties of N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide?
N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-5-propan-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 128985913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).