1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide

C13H22N4O — CID 95817242

IUPAC1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
SMILESCC(C)N1CCC(Cn2cc(C(N)=O)cn2)CC1
InChIInChI=1S/C13H22N4O/c1-10(2)16-5-3-11(4-6-16)8-17-9-12(7-15-17)13(14)18/h7,9-11H,3-6,8H2,1-2H3,(H2,14,18)
InChIKeyUOYABOGWGQUOAD-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.10
Rot. Bonds4

About 1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide

1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 95817242) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID95817242
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
SMILESCC(C)N1CCC(Cn2cc(C(N)=O)cn2)CC1
InChIInChI=1S/C13H22N4O/c1-10(2)16-5-3-11(4-6-16)8-17-9-12(7-15-17)13(14)18/h7,9-11H,3-6,8H2,1-2H3,(H2,14,18)
InChIKeyUOYABOGWGQUOAD-UHFFFAOYSA-N
XLogP1.10
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide (CID 95817242) is 1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide is CC(C)N1CCC(Cn2cc(C(N)=O)cn2)CC1.
What is the InChIKey of 1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is UOYABOGWGQUOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)16-5-3-11(4-6-16)8-17-9-12(7-15-17)13(14)18/h7,9-11H,3-6,8H2,1-2H3,(H2,14,18).
What are the key properties of 1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide?
1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 95817242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).