4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]piperidine-1-carboxamide

C13H23N5O — CID 62037922

IUPAC4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]piperidine-1-carboxamide
SMILESCc1[nH]ncc1CCCNC1CCN(C(N)=O)CC1
InChIInChI=1S/C13H23N5O/c1-10-11(9-16-17-10)3-2-6-15-12-4-7-18(8-5-12)13(14)19/h9,12,15H,2-8H2,1H3,(H2,14,19)(H,16,17)
InChIKeyFVJBSYGNMPLFLJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.78
Rot. Bonds5

About 4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]piperidine-1-carboxamide

4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]piperidine-1-carboxamide (PubChem CID 62037922) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]piperidine-1-carboxamide
PubChem CID62037922
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]piperidine-1-carboxamide
SMILESCc1[nH]ncc1CCCNC1CCN(C(N)=O)CC1
InChIInChI=1S/C13H23N5O/c1-10-11(9-16-17-10)3-2-6-15-12-4-7-18(8-5-12)13(14)19/h9,12,15H,2-8H2,1H3,(H2,14,19)(H,16,17)
InChIKeyFVJBSYGNMPLFLJ-UHFFFAOYSA-N
XLogP0.78
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.78
H-Bond Donors ≤ 53
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 4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]piperidine-1-carboxamide?
The IUPAC name of 4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]piperidine-1-carboxamide (CID 62037922) is 4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]piperidine-1-carboxamide?
The canonical SMILES for 4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]piperidine-1-carboxamide is Cc1[nH]ncc1CCCNC1CCN(C(N)=O)CC1.
What is the InChIKey of 4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]piperidine-1-carboxamide?
The InChIKey is FVJBSYGNMPLFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-10-11(9-16-17-10)3-2-6-15-12-4-7-18(8-5-12)13(14)19/h9,12,15H,2-8H2,1H3,(H2,14,19)(H,16,17).
What are the key properties of 4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]piperidine-1-carboxamide?
4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]piperidine-1-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]piperidine-1-carboxamide is sourced from PubChem (CID 62037922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).