5-amino-3-(cyclopropylmethylamino)-1-(3-methylphenyl)pyrazole-4-carbonitrile

C15H17N5 — CID 102795569

IUPAC5-amino-3-(cyclopropylmethylamino)-1-(3-methylphenyl)pyrazole-4-carbonitrile
SMILESCc1cccc(-n2nc(NCC3CC3)c(C#N)c2N)c1
InChIInChI=1S/C15H17N5/c1-10-3-2-4-12(7-10)20-14(17)13(8-16)15(19-20)18-9-11-5-6-11/h2-4,7,11H,5-6,9,17H2,1H3,(H,18,19)
InChIKeyRRWPVFYBYYOFAI-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.46
Rot. Bonds4

About 5-amino-3-(cyclopropylmethylamino)-1-(3-methylphenyl)pyrazole-4-carbonitrile

5-amino-3-(cyclopropylmethylamino)-1-(3-methylphenyl)pyrazole-4-carbonitrile (PubChem CID 102795569) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 5-amino-3-(cyclopropylmethylamino)-1-(3-methylphenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(cyclopropylmethylamino)-1-(3-methylphenyl)pyrazole-4-carbonitrile
PubChem CID102795569
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name5-amino-3-(cyclopropylmethylamino)-1-(3-methylphenyl)pyrazole-4-carbonitrile
SMILESCc1cccc(-n2nc(NCC3CC3)c(C#N)c2N)c1
InChIInChI=1S/C15H17N5/c1-10-3-2-4-12(7-10)20-14(17)13(8-16)15(19-20)18-9-11-5-6-11/h2-4,7,11H,5-6,9,17H2,1H3,(H,18,19)
InChIKeyRRWPVFYBYYOFAI-UHFFFAOYSA-N
XLogP2.46
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(cyclopropylmethylamino)-1-(3-methylphenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(cyclopropylmethylamino)-1-(3-methylphenyl)pyrazole-4-carbonitrile (CID 102795569) is 5-amino-3-(cyclopropylmethylamino)-1-(3-methylphenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(cyclopropylmethylamino)-1-(3-methylphenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(cyclopropylmethylamino)-1-(3-methylphenyl)pyrazole-4-carbonitrile is Cc1cccc(-n2nc(NCC3CC3)c(C#N)c2N)c1.
What is the InChIKey of 5-amino-3-(cyclopropylmethylamino)-1-(3-methylphenyl)pyrazole-4-carbonitrile?
The InChIKey is RRWPVFYBYYOFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-10-3-2-4-12(7-10)20-14(17)13(8-16)15(19-20)18-9-11-5-6-11/h2-4,7,11H,5-6,9,17H2,1H3,(H,18,19).
What are the key properties of 5-amino-3-(cyclopropylmethylamino)-1-(3-methylphenyl)pyrazole-4-carbonitrile?
5-amino-3-(cyclopropylmethylamino)-1-(3-methylphenyl)pyrazole-4-carbonitrile has a molecular weight of 267.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(cyclopropylmethylamino)-1-(3-methylphenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 102795569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).