N-(3-aminopropyl)-1-ethylpyrazole-3-carboxamide

C9H16N4O — CID 19621049

IUPACN-(3-aminopropyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NCCCN)n1
InChIInChI=1S/C9H16N4O/c1-2-13-7-4-8(12-13)9(14)11-6-3-5-10/h4,7H,2-3,5-6,10H2,1H3,(H,11,14)
InChIKeyMBAQQLSSLNYFGZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.02
Rot. Bonds5

About N-(3-aminopropyl)-1-ethylpyrazole-3-carboxamide

N-(3-aminopropyl)-1-ethylpyrazole-3-carboxamide (PubChem CID 19621049) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-ethylpyrazole-3-carboxamide
PubChem CID19621049
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-(3-aminopropyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)NCCCN)n1
InChIInChI=1S/C9H16N4O/c1-2-13-7-4-8(12-13)9(14)11-6-3-5-10/h4,7H,2-3,5-6,10H2,1H3,(H,11,14)
InChIKeyMBAQQLSSLNYFGZ-UHFFFAOYSA-N
XLogP-0.02
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-1-ethylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 19262208
N,1-diethylpyrazole-3-carboxamide
CID 19262384
1-ethyl-N-prop-2-enylpyrazole-3-carboxamide
CID 19262174
1-ethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 91917578
N-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270943
N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119407978
N-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264482
1-ethyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]pyrazole-3-carboxamide
CID 131943513
1-ethyl-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262380
N-(5-chloro-2-methylphenyl)-1-ethylpyrazole-3-carboxamide
CID 19262159
3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19506557
N-(4-carbamoylphenyl)-1-ethylpyrazole-3-carboxamide
CID 6469151

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-1-ethylpyrazole-3-carboxamide (CID 19621049) is N-(3-aminopropyl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-1-ethylpyrazole-3-carboxamide is CCn1ccc(C(=O)NCCCN)n1.
What is the InChIKey of N-(3-aminopropyl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is MBAQQLSSLNYFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-2-13-7-4-8(12-13)9(14)11-6-3-5-10/h4,7H,2-3,5-6,10H2,1H3,(H,11,14).
What are the key properties of N-(3-aminopropyl)-1-ethylpyrazole-3-carboxamide?
N-(3-aminopropyl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 196.25 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19621049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).