1-(3-amino-1H-pyrazole-5-carbonyl)-N-butylpiperidine-4-carboxamide

C14H23N5O2 — CID 64523293

IUPAC1-(3-amino-1H-pyrazole-5-carbonyl)-N-butylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)c2cc(N)n[nH]2)CC1
InChIInChI=1S/C14H23N5O2/c1-2-3-6-16-13(20)10-4-7-19(8-5-10)14(21)11-9-12(15)18-17-11/h9-10H,2-8H2,1H3,(H,16,20)(H3,15,17,18)
InChIKeyICBIYLRAVBFSIT-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.76
Rot. Bonds5

About 1-(3-amino-1H-pyrazole-5-carbonyl)-N-butylpiperidine-4-carboxamide

1-(3-amino-1H-pyrazole-5-carbonyl)-N-butylpiperidine-4-carboxamide (PubChem CID 64523293) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(3-amino-1H-pyrazole-5-carbonyl)-N-butylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-amino-1H-pyrazole-5-carbonyl)-N-butylpiperidine-4-carboxamide
PubChem CID64523293
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-(3-amino-1H-pyrazole-5-carbonyl)-N-butylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)c2cc(N)n[nH]2)CC1
InChIInChI=1S/C14H23N5O2/c1-2-3-6-16-13(20)10-4-7-19(8-5-10)14(21)11-9-12(15)18-17-11/h9-10H,2-8H2,1H3,(H,16,20)(H3,15,17,18)
InChIKeyICBIYLRAVBFSIT-UHFFFAOYSA-N
XLogP0.76
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 1-(3-amino-1H-pyrazole-5-carbonyl)-N-butylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-amino-1H-pyrazole-5-carbonyl)-N-butylpiperidine-4-carboxamide (CID 64523293) is 1-(3-amino-1H-pyrazole-5-carbonyl)-N-butylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-amino-1H-pyrazole-5-carbonyl)-N-butylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-amino-1H-pyrazole-5-carbonyl)-N-butylpiperidine-4-carboxamide is CCCCNC(=O)C1CCN(C(=O)c2cc(N)n[nH]2)CC1.
What is the InChIKey of 1-(3-amino-1H-pyrazole-5-carbonyl)-N-butylpiperidine-4-carboxamide?
The InChIKey is ICBIYLRAVBFSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-2-3-6-16-13(20)10-4-7-19(8-5-10)14(21)11-9-12(15)18-17-11/h9-10H,2-8H2,1H3,(H,16,20)(H3,15,17,18).
What are the key properties of 1-(3-amino-1H-pyrazole-5-carbonyl)-N-butylpiperidine-4-carboxamide?
1-(3-amino-1H-pyrazole-5-carbonyl)-N-butylpiperidine-4-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1H-pyrazole-5-carbonyl)-N-butylpiperidine-4-carboxamide is sourced from PubChem (CID 64523293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).