N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide

C15H26N4O2 — CID 56883719

IUPACN-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC[C@@H]2CCNC[C@H]2O)n(C)n1
InChIInChI=1S/C15H26N4O2/c1-10(2)6-12-7-13(19(3)18-12)15(21)17-8-11-4-5-16-9-14(11)20/h7,10-11,14,16,20H,4-6,8-9H2,1-3H3,(H,17,21)/t11-,14+/m0/s1
InChIKeyOKWPDFGUSXJQPQ-SMDDNHRTSA-N
MW294.40 g/mol
LogP0.32
Rot. Bonds5

About N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide

N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 56883719) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID56883719
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC[C@@H]2CCNC[C@H]2O)n(C)n1
InChIInChI=1S/C15H26N4O2/c1-10(2)6-12-7-13(19(3)18-12)15(21)17-8-11-4-5-16-9-14(11)20/h7,10-11,14,16,20H,4-6,8-9H2,1-3H3,(H,17,21)/t11-,14+/m0/s1
InChIKeyOKWPDFGUSXJQPQ-SMDDNHRTSA-N
XLogP0.32
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 56883719) is N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide is CC(C)Cc1cc(C(=O)NC[C@@H]2CCNC[C@H]2O)n(C)n1.
What is the InChIKey of N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is OKWPDFGUSXJQPQ-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-10(2)6-12-7-13(19(3)18-12)15(21)17-8-11-4-5-16-9-14(11)20/h7,10-11,14,16,20H,4-6,8-9H2,1-3H3,(H,17,21)/t11-,14+/m0/s1.
What are the key properties of N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide?
N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 56883719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).