5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide

C9H17N5O — CID 167078584

IUPAC5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide
SMILESCCC(N)NC(=O)c1cnn(CC)c1N
InChIInChI=1S/C9H17N5O/c1-3-7(10)13-9(15)6-5-12-14(4-2)8(6)11/h5,7H,3-4,10-11H2,1-2H3,(H,13,15)
InChIKeyCOSRHZHGVLUVGD-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.09
Rot. Bonds4

About 5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide

5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide (PubChem CID 167078584) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide
PubChem CID167078584
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide
SMILESCCC(N)NC(=O)c1cnn(CC)c1N
InChIInChI=1S/C9H17N5O/c1-3-7(10)13-9(15)6-5-12-14(4-2)8(6)11/h5,7H,3-4,10-11H2,1-2H3,(H,13,15)
InChIKeyCOSRHZHGVLUVGD-UHFFFAOYSA-N
XLogP-0.09
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(5-amino-1-ethylpyrazol-4-yl)ethanone
CID 119054334
5-amino-1-methyl-N-pentan-3-ylpyrazole-4-carboxamide
CID 115330307
4-amino-1-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)pyrazole-5-carboxamide
CID 79248487
1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide
CID 19280747
4-amino-1-ethyl-N-(4-methylpent-1-yn-3-yl)pyrazole-5-carboxamide
CID 114201947
5-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-4-carboxamide
CID 113288604
4-amino-1-ethyl-N-(1-hydroxy-4,4-dimethylpentan-3-yl)pyrazole-5-carboxamide
CID 106347925
methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoate
CID 82546712
4-amino-N-(1-cyclohexylpropyl)-1-ethylpyrazole-5-carboxamide
CID 65358575
1-ethyl-5-methoxypyrazole-4-carboxamide
CID 135349343
5-amino-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-4-carboxamide
CID 114252333
5-amino-N-[2-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide
CID 115330694

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide (CID 167078584) is 5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide is CCC(N)NC(=O)c1cnn(CC)c1N.
What is the InChIKey of 5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide?
The InChIKey is COSRHZHGVLUVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-3-7(10)13-9(15)6-5-12-14(4-2)8(6)11/h5,7H,3-4,10-11H2,1-2H3,(H,13,15).
What are the key properties of 5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide?
5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide has a molecular weight of 211.27 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-aminopropyl)-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 167078584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).