5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-3-carboxamide

C14H20N6O — CID 91631960

IUPAC5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3cc(C)[nH]n3)CC2)n[nH]1
InChIInChI=1S/C14H20N6O/c1-9-7-12(18-16-9)14(21)15-11-3-5-20(6-4-11)13-8-10(2)17-19-13/h7-8,11H,3-6H2,1-2H3,(H,15,21)(H,16,18)(H,17,19)
InChIKeySNIMMHVYOGQFHC-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.15
Rot. Bonds3

About 5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-3-carboxamide

5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-3-carboxamide (PubChem CID 91631960) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
PubChem CID91631960
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3cc(C)[nH]n3)CC2)n[nH]1
InChIInChI=1S/C14H20N6O/c1-9-7-12(18-16-9)14(21)15-11-3-5-20(6-4-11)13-8-10(2)17-19-13/h7-8,11H,3-6H2,1-2H3,(H,15,21)(H,16,18)(H,17,19)
InChIKeySNIMMHVYOGQFHC-UHFFFAOYSA-N
XLogP1.15
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-3-carboxamide (CID 91631960) is 5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCN(c3cc(C)[nH]n3)CC2)n[nH]1.
What is the InChIKey of 5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is SNIMMHVYOGQFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-9-7-12(18-16-9)14(21)15-11-3-5-20(6-4-11)13-8-10(2)17-19-13/h7-8,11H,3-6H2,1-2H3,(H,15,21)(H,16,18)(H,17,19).
What are the key properties of 5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-3-carboxamide?
5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91631960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).