3-amino-5-(3-methoxyphenyl)-1H-pyrazole-4-carbonitrile

C11H10N4O — CID 69465742

IUPAC3-amino-5-(3-methoxyphenyl)-1H-pyrazole-4-carbonitrile
SMILESCOc1cccc(-c2[nH]nc(N)c2C#N)c1
InChIInChI=1S/C11H10N4O/c1-16-8-4-2-3-7(5-8)10-9(6-12)11(13)15-14-10/h2-5H,1H3,(H3,13,14,15)
InChIKeyKQRJXBXFDDXIHB-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.54
Rot. Bonds2

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

3-amino-5-(3-methoxyphenyl)-1H-pyrazole-4-carbonitrile (PubChem CID 69465742) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 3-amino-5-(3-methoxyphenyl)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(3-methoxyphenyl)-1H-pyrazole-4-carbonitrile
PubChem CID69465742
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name3-amino-5-(3-methoxyphenyl)-1H-pyrazole-4-carbonitrile
SMILESCOc1cccc(-c2[nH]nc(N)c2C#N)c1
InChIInChI=1S/C11H10N4O/c1-16-8-4-2-3-7(5-8)10-9(6-12)11(13)15-14-10/h2-5H,1H3,(H3,13,14,15)
InChIKeyKQRJXBXFDDXIHB-UHFFFAOYSA-N
XLogP1.54
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-(3-nitrophenyl)-1H-pyrazole-4-carbonitrile
CID 10633155
3-amino-5-(4-methylphenyl)-1H-pyrazole-4-carbonitrile
CID 23356679
5-(3-methoxyphenyl)-1H-imidazol-4-amine
CID 82468693
5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 61261996
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119909
2-amino-4-(3-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231001
3-amino-5-(4-phosphanyloxyphenyl)-1H-pyrazole-4-carbonitrile
CID 135183649
2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
CID 163196347
(4S)-6-amino-3,4-bis(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1401783
2-amino-6-(3-methoxyphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile
CID 5120091
5-(5-fluoro-3-pyridinyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 104785968
2-amino-6-(1H-benzimidazol-2-yl)-4-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 73349311

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-methoxyphenyl)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-5-(3-methoxyphenyl)-1H-pyrazole-4-carbonitrile (CID 69465742) is 3-amino-5-(3-methoxyphenyl)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-(3-methoxyphenyl)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-(3-methoxyphenyl)-1H-pyrazole-4-carbonitrile is COc1cccc(-c2[nH]nc(N)c2C#N)c1.
What is the InChIKey of 3-amino-5-(3-methoxyphenyl)-1H-pyrazole-4-carbonitrile?
The InChIKey is KQRJXBXFDDXIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-16-8-4-2-3-7(5-8)10-9(6-12)11(13)15-14-10/h2-5H,1H3,(H3,13,14,15).
What are the key properties of 3-amino-5-(3-methoxyphenyl)-1H-pyrazole-4-carbonitrile?
3-amino-5-(3-methoxyphenyl)-1H-pyrazole-4-carbonitrile has a molecular weight of 214.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-methoxyphenyl)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 69465742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).