N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-1H-pyrazole-5-carboxamide

C15H26N4O — CID 94823486

IUPACN-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-1H-pyrazole-5-carboxamide
SMILESC[C@@H]1C[C@H](C)CN(CCCCNC(=O)c2ccn[nH]2)C1
InChIInChI=1S/C15H26N4O/c1-12-9-13(2)11-19(10-12)8-4-3-6-16-15(20)14-5-7-17-18-14/h5,7,12-13H,3-4,6,8-11H2,1-2H3,(H,16,20)(H,17,18)/t12-,13+
InChIKeyOSTUWZSGCHOBBK-BETUJISGSA-N
MW278.40 g/mol
LogP1.90
Rot. Bonds6

About N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-1H-pyrazole-5-carboxamide

N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-1H-pyrazole-5-carboxamide (PubChem CID 94823486) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-1H-pyrazole-5-carboxamide
PubChem CID94823486
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-1H-pyrazole-5-carboxamide
SMILESC[C@@H]1C[C@H](C)CN(CCCCNC(=O)c2ccn[nH]2)C1
InChIInChI=1S/C15H26N4O/c1-12-9-13(2)11-19(10-12)8-4-3-6-16-15(20)14-5-7-17-18-14/h5,7,12-13H,3-4,6,8-11H2,1-2H3,(H,16,20)(H,17,18)/t12-,13+
InChIKeyOSTUWZSGCHOBBK-BETUJISGSA-N
XLogP1.90
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-1H-pyrazole-5-carboxamide (CID 94823486) is N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-1H-pyrazole-5-carboxamide is C[C@@H]1C[C@H](C)CN(CCCCNC(=O)c2ccn[nH]2)C1.
What is the InChIKey of N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-1H-pyrazole-5-carboxamide?
The InChIKey is OSTUWZSGCHOBBK-BETUJISGSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12-9-13(2)11-19(10-12)8-4-3-6-16-15(20)14-5-7-17-18-14/h5,7,12-13H,3-4,6,8-11H2,1-2H3,(H,16,20)(H,17,18)/t12-,13+.
What are the key properties of N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-1H-pyrazole-5-carboxamide?
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-1H-pyrazole-5-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 94823486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).