4-[[1-(3-methylbutyl)pyrazol-3-yl]amino]piperidine-1-carboxamide

C14H25N5O — CID 75516293

IUPAC4-[[1-(3-methylbutyl)pyrazol-3-yl]amino]piperidine-1-carboxamide
SMILESCC(C)CCn1ccc(NC2CCN(C(N)=O)CC2)n1
InChIInChI=1S/C14H25N5O/c1-11(2)3-9-19-10-6-13(17-19)16-12-4-7-18(8-5-12)14(15)20/h6,10-12H,3-5,7-9H2,1-2H3,(H2,15,20)(H,16,17)
InChIKeyBJOMEEFVFRJERK-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.88
Rot. Bonds5

About 4-[[1-(3-methylbutyl)pyrazol-3-yl]amino]piperidine-1-carboxamide

4-[[1-(3-methylbutyl)pyrazol-3-yl]amino]piperidine-1-carboxamide (PubChem CID 75516293) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 4-[[1-(3-methylbutyl)pyrazol-3-yl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[1-(3-methylbutyl)pyrazol-3-yl]amino]piperidine-1-carboxamide
PubChem CID75516293
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name4-[[1-(3-methylbutyl)pyrazol-3-yl]amino]piperidine-1-carboxamide
SMILESCC(C)CCn1ccc(NC2CCN(C(N)=O)CC2)n1
InChIInChI=1S/C14H25N5O/c1-11(2)3-9-19-10-6-13(17-19)16-12-4-7-18(8-5-12)14(15)20/h6,10-12H,3-5,7-9H2,1-2H3,(H2,15,20)(H,16,17)
InChIKeyBJOMEEFVFRJERK-UHFFFAOYSA-N
XLogP1.88
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-methylbutyl)pyrazol-3-yl]amino]piperidine-1-carboxamide?
The IUPAC name of 4-[[1-(3-methylbutyl)pyrazol-3-yl]amino]piperidine-1-carboxamide (CID 75516293) is 4-[[1-(3-methylbutyl)pyrazol-3-yl]amino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[[1-(3-methylbutyl)pyrazol-3-yl]amino]piperidine-1-carboxamide?
The canonical SMILES for 4-[[1-(3-methylbutyl)pyrazol-3-yl]amino]piperidine-1-carboxamide is CC(C)CCn1ccc(NC2CCN(C(N)=O)CC2)n1.
What is the InChIKey of 4-[[1-(3-methylbutyl)pyrazol-3-yl]amino]piperidine-1-carboxamide?
The InChIKey is BJOMEEFVFRJERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-11(2)3-9-19-10-6-13(17-19)16-12-4-7-18(8-5-12)14(15)20/h6,10-12H,3-5,7-9H2,1-2H3,(H2,15,20)(H,16,17).
What are the key properties of 4-[[1-(3-methylbutyl)pyrazol-3-yl]amino]piperidine-1-carboxamide?
4-[[1-(3-methylbutyl)pyrazol-3-yl]amino]piperidine-1-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-methylbutyl)pyrazol-3-yl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 75516293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).