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

C18H26N6O — CID 70713542

IUPAC1-methyl-3-propan-2-yl-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCC2CCCN(c3ncccn3)C2)n(C)n1
InChIInChI=1S/C18H26N6O/c1-13(2)15-10-16(23(3)22-15)17(25)21-11-14-6-4-9-24(12-14)18-19-7-5-8-20-18/h5,7-8,10,13-14H,4,6,9,11-12H2,1-3H3,(H,21,25)
InChIKeyFCFOIWHSYRYVMD-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.98
Rot. Bonds5

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

1-methyl-3-propan-2-yl-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide (PubChem CID 70713542) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide
PubChem CID70713542
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-methyl-3-propan-2-yl-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCC2CCCN(c3ncccn3)C2)n(C)n1
InChIInChI=1S/C18H26N6O/c1-13(2)15-10-16(23(3)22-15)17(25)21-11-14-6-4-9-24(12-14)18-19-7-5-8-20-18/h5,7-8,10,13-14H,4,6,9,11-12H2,1-3H3,(H,21,25)
InChIKeyFCFOIWHSYRYVMD-UHFFFAOYSA-N
XLogP1.98
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-propan-2-yl-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide (CID 70713542) is 1-methyl-3-propan-2-yl-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-propan-2-yl-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-propan-2-yl-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide is CC(C)c1cc(C(=O)NCC2CCCN(c3ncccn3)C2)n(C)n1.
What is the InChIKey of 1-methyl-3-propan-2-yl-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is FCFOIWHSYRYVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13(2)15-10-16(23(3)22-15)17(25)21-11-14-6-4-9-24(12-14)18-19-7-5-8-20-18/h5,7-8,10,13-14H,4,6,9,11-12H2,1-3H3,(H,21,25).
What are the key properties of 1-methyl-3-propan-2-yl-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide?
1-methyl-3-propan-2-yl-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 70713542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).