4-amino-1-cyclopentyl-N-[3-(diethylamino)propyl]pyrazole-3-carboxamide

C16H29N5O — CID 132586496

IUPAC4-amino-1-cyclopentyl-N-[3-(diethylamino)propyl]pyrazole-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1nn(C2CCCC2)cc1N
InChIInChI=1S/C16H29N5O/c1-3-20(4-2)11-7-10-18-16(22)15-14(17)12-21(19-15)13-8-5-6-9-13/h12-13H,3-11,17H2,1-2H3,(H,18,22)
InChIKeyRYMSOQBVGVJJKO-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.04
Rot. Bonds8

About 4-amino-1-cyclopentyl-N-[3-(diethylamino)propyl]pyrazole-3-carboxamide

4-amino-1-cyclopentyl-N-[3-(diethylamino)propyl]pyrazole-3-carboxamide (PubChem CID 132586496) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is 4-amino-1-cyclopentyl-N-[3-(diethylamino)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopentyl-N-[3-(diethylamino)propyl]pyrazole-3-carboxamide
PubChem CID132586496
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name4-amino-1-cyclopentyl-N-[3-(diethylamino)propyl]pyrazole-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1nn(C2CCCC2)cc1N
InChIInChI=1S/C16H29N5O/c1-3-20(4-2)11-7-10-18-16(22)15-14(17)12-21(19-15)13-8-5-6-9-13/h12-13H,3-11,17H2,1-2H3,(H,18,22)
InChIKeyRYMSOQBVGVJJKO-UHFFFAOYSA-N
XLogP2.04
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-cyclopentyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 132586497
4-amino-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide
CID 65358786
1-cyclopentyl-N-[2-[ethyl(methyl)amino]ethyl]pyrazole-3-carboxamide
CID 71968725
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
2,4-diamino-N-[3-(diethylamino)propyl]benzamide
CID 21398349
4-amino-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 62081384
2-amino-N-[3-(diethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 55116109
6-amino-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 62238759
3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 64524402
N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861207
4-amino-N-hexyl-1-methylpyrazole-3-carboxamide
CID 65354108
4-amino-N-[3-(diethylamino)propyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 55034048

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopentyl-N-[3-(diethylamino)propyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-cyclopentyl-N-[3-(diethylamino)propyl]pyrazole-3-carboxamide (CID 132586496) is 4-amino-1-cyclopentyl-N-[3-(diethylamino)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopentyl-N-[3-(diethylamino)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-cyclopentyl-N-[3-(diethylamino)propyl]pyrazole-3-carboxamide is CCN(CC)CCCNC(=O)c1nn(C2CCCC2)cc1N.
What is the InChIKey of 4-amino-1-cyclopentyl-N-[3-(diethylamino)propyl]pyrazole-3-carboxamide?
The InChIKey is RYMSOQBVGVJJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-3-20(4-2)11-7-10-18-16(22)15-14(17)12-21(19-15)13-8-5-6-9-13/h12-13H,3-11,17H2,1-2H3,(H,18,22).
What are the key properties of 4-amino-1-cyclopentyl-N-[3-(diethylamino)propyl]pyrazole-3-carboxamide?
4-amino-1-cyclopentyl-N-[3-(diethylamino)propyl]pyrazole-3-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopentyl-N-[3-(diethylamino)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 132586496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).