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

C16H24N6O — CID 128976111

IUPAC1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(C2CCCN(Cc3c(C)n[nH]c3C)C2)n1
InChIInChI=1S/C16H24N6O/c1-11-14(12(2)19-18-11)10-21-7-4-5-13(9-21)22-8-6-15(20-22)16(23)17-3/h6,8,13H,4-5,7,9-10H2,1-3H3,(H,17,23)(H,18,19)
InChIKeyZCRILRDFQFIKMM-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.42
Rot. Bonds4

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

1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide (PubChem CID 128976111) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
PubChem CID128976111
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(C2CCCN(Cc3c(C)n[nH]c3C)C2)n1
InChIInChI=1S/C16H24N6O/c1-11-14(12(2)19-18-11)10-21-7-4-5-13(9-21)22-8-6-15(20-22)16(23)17-3/h6,8,13H,4-5,7,9-10H2,1-3H3,(H,17,23)(H,18,19)
InChIKeyZCRILRDFQFIKMM-UHFFFAOYSA-N
XLogP1.42
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide (CID 128976111) is 1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(C2CCCN(Cc3c(C)n[nH]c3C)C2)n1.
What is the InChIKey of 1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
The InChIKey is ZCRILRDFQFIKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-11-14(12(2)19-18-11)10-21-7-4-5-13(9-21)22-8-6-15(20-22)16(23)17-3/h6,8,13H,4-5,7,9-10H2,1-3H3,(H,17,23)(H,18,19).
What are the key properties of 1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide?
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 128976111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).