4-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide

C11H15N5O — CID 104616213

IUPAC4-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
SMILESCCCc1cc(NC(=O)c2cc(N)c[nH]2)n[nH]1
InChIInChI=1S/C11H15N5O/c1-2-3-8-5-10(16-15-8)14-11(17)9-4-7(12)6-13-9/h4-6,13H,2-3,12H2,1H3,(H2,14,15,16,17)
InChIKeyACSOSUZEOOMIJK-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.52
Rot. Bonds4

About 4-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide

4-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide (PubChem CID 104616213) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 4-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
PubChem CID104616213
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name4-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
SMILESCCCc1cc(NC(=O)c2cc(N)c[nH]2)n[nH]1
InChIInChI=1S/C11H15N5O/c1-2-3-8-5-10(16-15-8)14-11(17)9-4-7(12)6-13-9/h4-6,13H,2-3,12H2,1H3,(H2,14,15,16,17)
InChIKeyACSOSUZEOOMIJK-UHFFFAOYSA-N
XLogP1.52
TPSA99.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 104616226
4-nitro-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 115621174
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 104618246
N-(5-propyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115747889
5-amino-2,3-dichloro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 107185838
3-amino-2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104616231
4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104619750
3-amino-2-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104616145
2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115778074
2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115647444
3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propanoic acid
CID 104621777
2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233988

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide (CID 104616213) is 4-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide is CCCc1cc(NC(=O)c2cc(N)c[nH]2)n[nH]1.
What is the InChIKey of 4-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is ACSOSUZEOOMIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-2-3-8-5-10(16-15-8)14-11(17)9-4-7(12)6-13-9/h4-6,13H,2-3,12H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide?
4-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 233.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 104616213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).