4-amino-N-(1-ethylpyrazol-4-yl)-1H-pyrrole-2-carboxamide

C10H13N5O — CID 43643732

IUPAC4-amino-N-(1-ethylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(N)c[nH]2)cn1
InChIInChI=1S/C10H13N5O/c1-2-15-6-8(5-13-15)14-10(16)9-3-7(11)4-12-9/h3-6,12H,2,11H2,1H3,(H,14,16)
InChIKeyDSPGOKVFXMLULU-UHFFFAOYSA-N
MW219.25 g/mol
LogP1.07
Rot. Bonds3

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

4-amino-N-(1-ethylpyrazol-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 43643732) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 4-amino-N-(1-ethylpyrazol-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-ethylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID43643732
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name4-amino-N-(1-ethylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
SMILESCCn1cc(NC(=O)c2cc(N)c[nH]2)cn1
InChIInChI=1S/C10H13N5O/c1-2-15-6-8(5-13-15)14-10(16)9-3-7(11)4-12-9/h3-6,12H,2,11H2,1H3,(H,14,16)
InChIKeyDSPGOKVFXMLULU-UHFFFAOYSA-N
XLogP1.07
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1-ethylpyrazol-4-yl)benzamide
CID 43543193
5-amino-N-(1-ethylpyrazol-4-yl)-1H-indole-3-carboxamide
CID 63117028
4-amino-N-(1-ethylpyrazol-4-yl)-1-methylpyrrole-2-carboxamide
CID 43643735
5-amino-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 60905133
3-amino-N-(1-ethylpyrazol-4-yl)-4-methylbenzamide
CID 43543182
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CID 43543950
4-amino-5-ethyl-N-(1-ethylpyrazol-4-yl)-1H-pyrazole-3-carboxamide
CID 62082337
2-[4-[(1-ethylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500808
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
5-[(1-ethylpyrazol-4-yl)carbamoyl]thiophene-2-carboxylic acid
CID 43429906
2-amino-2-ethyl-N-(1-ethylpyrazol-4-yl)butanamide
CID 79810025
ethyl 2-[(1-ethylpyrazol-4-yl)amino]-2-oxoacetate
CID 60893384

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-ethylpyrazol-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(1-ethylpyrazol-4-yl)-1H-pyrrole-2-carboxamide (CID 43643732) is 4-amino-N-(1-ethylpyrazol-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(1-ethylpyrazol-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(1-ethylpyrazol-4-yl)-1H-pyrrole-2-carboxamide is CCn1cc(NC(=O)c2cc(N)c[nH]2)cn1.
What is the InChIKey of 4-amino-N-(1-ethylpyrazol-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is DSPGOKVFXMLULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-2-15-6-8(5-13-15)14-10(16)9-3-7(11)4-12-9/h3-6,12H,2,11H2,1H3,(H,14,16).
What are the key properties of 4-amino-N-(1-ethylpyrazol-4-yl)-1H-pyrrole-2-carboxamide?
4-amino-N-(1-ethylpyrazol-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 219.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-ethylpyrazol-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43643732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).