5-amino-3-(2-ethoxyanilino)-1H-pyrazole-4-carbonitrile

C12H13N5O — CID 11447892

IUPAC5-amino-3-(2-ethoxyanilino)-1H-pyrazole-4-carbonitrile
SMILESCCOc1ccccc1Nc1n[nH]c(N)c1C#N
InChIInChI=1S/C12H13N5O/c1-2-18-10-6-4-3-5-9(10)15-12-8(7-13)11(14)16-17-12/h3-6H,2H2,1H3,(H4,14,15,16,17)
InChIKeyGMLOKNFJNOXZBS-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.01
Rot. Bonds4

About 5-amino-3-(2-ethoxyanilino)-1H-pyrazole-4-carbonitrile

5-amino-3-(2-ethoxyanilino)-1H-pyrazole-4-carbonitrile (PubChem CID 11447892) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-amino-3-(2-ethoxyanilino)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(2-ethoxyanilino)-1H-pyrazole-4-carbonitrile
PubChem CID11447892
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name5-amino-3-(2-ethoxyanilino)-1H-pyrazole-4-carbonitrile
SMILESCCOc1ccccc1Nc1n[nH]c(N)c1C#N
InChIInChI=1S/C12H13N5O/c1-2-18-10-6-4-3-5-9(10)15-12-8(7-13)11(14)16-17-12/h3-6H,2H2,1H3,(H4,14,15,16,17)
InChIKeyGMLOKNFJNOXZBS-UHFFFAOYSA-N
XLogP2.01
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-3-((4-methoxyphenyl)amino)-1H-pyrazole-4-carbonitrile
CID 4646667
1H-Pyrazole-4-carbonitrile, 3-amino-5-[(3-methoxyphenyl)amino]-
CID 10728098
5-amino-3-(2-methoxyanilino)-1H-pyrazole-4-carbonitrile
CID 11064220
5-Methyl-3-(4-trifluoromethoxy-phenylamino)-1H-pyrazole-4-carbonitrile
CID 10516983
5-Amino-1-(4-fluoro-2-propan-2-yloxyphenyl)pyrazole-4-carbonitrile
CID 58110911
5-amino-3-[4-(trifluoromethoxy)anilino]-1H-pyrazole-4-carbonitrile
CID 89500651
N-(2-ethoxy-6-fluorophenyl)-1H-pyrazol-5-amine
CID 90965470
N-[2-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine
CID 91165635
N-[2-(cyclopropylmethoxy)-3,4-difluorophenyl]-1H-pyrazol-5-amine
CID 91409419
N-[2-(cyclopropylmethoxy)-3-fluorophenyl]-1H-pyrazol-5-amine
CID 91541141
1-(2-ethoxyphenyl)-3-(3-methyl-1H-pyrazol-5-yl)thiourea
CID 934494
5-anilino-3-[(4-methoxyphenyl)methylideneamino]-1H-pyrazole-4-carbonitrile
CID 89821682

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-ethoxyanilino)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(2-ethoxyanilino)-1H-pyrazole-4-carbonitrile (CID 11447892) is 5-amino-3-(2-ethoxyanilino)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(2-ethoxyanilino)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(2-ethoxyanilino)-1H-pyrazole-4-carbonitrile is CCOc1ccccc1Nc1n[nH]c(N)c1C#N.
What is the InChIKey of 5-amino-3-(2-ethoxyanilino)-1H-pyrazole-4-carbonitrile?
The InChIKey is GMLOKNFJNOXZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-2-18-10-6-4-3-5-9(10)15-12-8(7-13)11(14)16-17-12/h3-6H,2H2,1H3,(H4,14,15,16,17).
What are the key properties of 5-amino-3-(2-ethoxyanilino)-1H-pyrazole-4-carbonitrile?
5-amino-3-(2-ethoxyanilino)-1H-pyrazole-4-carbonitrile has a molecular weight of 243.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-ethoxyanilino)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 11447892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).