5-amino-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile

C15H17N5O — CID 102796870

IUPAC5-amino-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
SMILESCOc1cccc(-n2nc(N3CCCC3)c(C#N)c2N)c1
InChIInChI=1S/C15H17N5O/c1-21-12-6-4-5-11(9-12)20-14(17)13(10-16)15(18-20)19-7-2-3-8-19/h4-6,9H,2-3,7-8,17H2,1H3
InChIKeyPHEXNSQQKGGLCG-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.93
Rot. Bonds3

About 5-amino-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile

5-amino-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile (PubChem CID 102796870) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-amino-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
PubChem CID102796870
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name5-amino-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
SMILESCOc1cccc(-n2nc(N3CCCC3)c(C#N)c2N)c1
InChIInChI=1S/C15H17N5O/c1-21-12-6-4-5-11(9-12)20-14(17)13(10-16)15(18-20)19-7-2-3-8-19/h4-6,9H,2-3,7-8,17H2,1H3
InChIKeyPHEXNSQQKGGLCG-UHFFFAOYSA-N
XLogP1.93
TPSA80.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-(4-fluorophenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102795536
5-amino-3-(3-methylpiperidin-1-yl)-1-phenylpyrazole-4-carbonitrile
CID 102795272
5-amino-1-(2-fluorophenyl)-3-piperidin-1-ylpyrazole-4-carbonitrile
CID 102795510
1-(3-methoxyphenyl)azepane
CID 57276431
2-(3-methoxyphenyl)pyrazole-3-carbonitrile
CID 105452002
5-amino-2,4-bis(4-methoxyphenyl)-7-pyrrolidin-1-yl-1,6-naphthyridine-8-carbonitrile
CID 101177675
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 28792674
3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 163352079
5-chloro-3-cyclopropyl-1-(3-methoxyphenyl)pyrazole-4-carbonitrile
CID 114798809
5-amino-3-(cyclopropylmethylamino)-1-(3-methylphenyl)pyrazole-4-carbonitrile
CID 102795569
5-[4-(3-methoxyphenyl)piperazin-1-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 3622381
5-amino-1-benzyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102795490

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile (CID 102796870) is 5-amino-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile is COc1cccc(-n2nc(N3CCCC3)c(C#N)c2N)c1.
What is the InChIKey of 5-amino-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile?
The InChIKey is PHEXNSQQKGGLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-21-12-6-4-5-11(9-12)20-14(17)13(10-16)15(18-20)19-7-2-3-8-19/h4-6,9H,2-3,7-8,17H2,1H3.
What are the key properties of 5-amino-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile?
5-amino-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile has a molecular weight of 283.33 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 102796870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).