4-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrrole-2-carboxamide

C11H15N5O — CID 43643735

IUPAC4-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrrole-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(N)cn2C)cn1
InChIInChI=1S/C11H15N5O/c1-3-16-7-9(5-13-16)14-11(17)10-4-8(12)6-15(10)2/h4-7H,3,12H2,1-2H3,(H,14,17)
InChIKeyHIDQERDWQLVGPT-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.08
Rot. Bonds3

About 4-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrrole-2-carboxamide

4-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrrole-2-carboxamide (PubChem CID 43643735) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrrole-2-carboxamide
PubChem CID43643735
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name4-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrrole-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(N)cn2C)cn1
InChIInChI=1S/C11H15N5O/c1-3-16-7-9(5-13-16)14-11(17)10-4-8(12)6-15(10)2/h4-7H,3,12H2,1-2H3,(H,14,17)
InChIKeyHIDQERDWQLVGPT-UHFFFAOYSA-N
XLogP1.08
TPSA77.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(1-ethylpyrazol-4-yl)benzamide
CID 43543193
4-amino-1-methyl-N-pyrimidin-5-ylpyrrole-2-carboxamide
CID 107587408
4-amino-N-(1-ethylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
CID 43643732
4-amino-N-[5-(2-aminoethylcarbamoyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 69176970
4-amino-N-[5-[[5-[2-(carbamoylamino)ethylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 142066067
methyl 4-[[4-[[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 147658735
3-amino-N-(1-ethylpyrazol-4-yl)-4-methylbenzamide
CID 43543182
2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide
CID 79810025
1-(3-aminophenyl)-3-(1-ethylpyrazol-4-yl)urea
CID 43543950
4-amino-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide
CID 104616582
4-amino-N-[4-(2-hydroxyethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 61236398
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrrole-2-carboxamide (CID 43643735) is 4-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrrole-2-carboxamide is CCn1cc(NC(=O)c2cc(N)cn2C)cn1.
What is the InChIKey of 4-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrrole-2-carboxamide?
The InChIKey is HIDQERDWQLVGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-3-16-7-9(5-13-16)14-11(17)10-4-8(12)6-15(10)2/h4-7H,3,12H2,1-2H3,(H,14,17).
What are the key properties of 4-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrrole-2-carboxamide?
4-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrrole-2-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43643735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).