5-amino-1-(2-bromophenyl)-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile

C14H14BrN5 — CID 102795890

IUPAC5-amino-1-(2-bromophenyl)-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile
SMILESN#Cc1c(NCC2CC2)nn(-c2ccccc2Br)c1N
InChIInChI=1S/C14H14BrN5/c15-11-3-1-2-4-12(11)20-13(17)10(7-16)14(19-20)18-8-9-5-6-9/h1-4,9H,5-6,8,17H2,(H,18,19)
InChIKeyJURPDRHAEALTTI-UHFFFAOYSA-N
MW332.21 g/mol
LogP2.91
Rot. Bonds4

About 5-amino-1-(2-bromophenyl)-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile

5-amino-1-(2-bromophenyl)-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile (PubChem CID 102795890) has the molecular formula C14H14BrN5 and a molecular weight of 332.21 g/mol. Its IUPAC name is 5-amino-1-(2-bromophenyl)-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(2-bromophenyl)-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile
PubChem CID102795890
Molecular FormulaC14H14BrN5
Molecular Weight332.21 g/mol
Exact Mass331.04
IUPAC Name5-amino-1-(2-bromophenyl)-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile
SMILESN#Cc1c(NCC2CC2)nn(-c2ccccc2Br)c1N
InChIInChI=1S/C14H14BrN5/c15-11-3-1-2-4-12(11)20-13(17)10(7-16)14(19-20)18-8-9-5-6-9/h1-4,9H,5-6,8,17H2,(H,18,19)
InChIKeyJURPDRHAEALTTI-UHFFFAOYSA-N
XLogP2.91
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-bromophenyl)-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(2-bromophenyl)-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile (CID 102795890) is 5-amino-1-(2-bromophenyl)-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(2-bromophenyl)-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(2-bromophenyl)-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile is N#Cc1c(NCC2CC2)nn(-c2ccccc2Br)c1N.
What is the InChIKey of 5-amino-1-(2-bromophenyl)-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile?
The InChIKey is JURPDRHAEALTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5/c15-11-3-1-2-4-12(11)20-13(17)10(7-16)14(19-20)18-8-9-5-6-9/h1-4,9H,5-6,8,17H2,(H,18,19).
What are the key properties of 5-amino-1-(2-bromophenyl)-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile?
5-amino-1-(2-bromophenyl)-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile has a molecular weight of 332.21 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-bromophenyl)-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile is sourced from PubChem (CID 102795890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).