1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide

C17H30N4O — CID 46963969

IUPAC1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCC2CCCN(C(C)C)C2)n(C)n1
InChIInChI=1S/C17H30N4O/c1-12(2)15-9-16(20(5)19-15)17(22)18-10-14-7-6-8-21(11-14)13(3)4/h9,12-14H,6-8,10-11H2,1-5H3,(H,18,22)
InChIKeyUZDJKBCJIAUANR-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.39
Rot. Bonds5

About 1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide

1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide (PubChem CID 46963969) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide
PubChem CID46963969
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCC2CCCN(C(C)C)C2)n(C)n1
InChIInChI=1S/C17H30N4O/c1-12(2)15-9-16(20(5)19-15)17(22)18-10-14-7-6-8-21(11-14)13(3)4/h9,12-14H,6-8,10-11H2,1-5H3,(H,18,22)
InChIKeyUZDJKBCJIAUANR-UHFFFAOYSA-N
XLogP2.39
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide (CID 46963969) is 1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide is CC(C)c1cc(C(=O)NCC2CCCN(C(C)C)C2)n(C)n1.
What is the InChIKey of 1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is UZDJKBCJIAUANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-12(2)15-9-16(20(5)19-15)17(22)18-10-14-7-6-8-21(11-14)13(3)4/h9,12-14H,6-8,10-11H2,1-5H3,(H,18,22).
What are the key properties of 1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide?
1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 46963969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).