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

C12H12BrN5 — CID 102795895

IUPAC5-amino-1-(2-bromophenyl)-3-(ethylamino)pyrazole-4-carbonitrile
SMILESCCNc1nn(-c2ccccc2Br)c(N)c1C#N
InChIInChI=1S/C12H12BrN5/c1-2-16-12-8(7-14)11(15)18(17-12)10-6-4-3-5-9(10)13/h3-6H,2,15H2,1H3,(H,16,17)
InChIKeyDPQYPWDXSMEDMN-UHFFFAOYSA-N
MW306.17 g/mol
LogP2.52
Rot. Bonds3

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

5-amino-1-(2-bromophenyl)-3-(ethylamino)pyrazole-4-carbonitrile (PubChem CID 102795895) has the molecular formula C12H12BrN5 and a molecular weight of 306.17 g/mol. Its IUPAC name is 5-amino-1-(2-bromophenyl)-3-(ethylamino)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(2-bromophenyl)-3-(ethylamino)pyrazole-4-carbonitrile
PubChem CID102795895
Molecular FormulaC12H12BrN5
Molecular Weight306.17 g/mol
Exact Mass305.03
IUPAC Name5-amino-1-(2-bromophenyl)-3-(ethylamino)pyrazole-4-carbonitrile
SMILESCCNc1nn(-c2ccccc2Br)c(N)c1C#N
InChIInChI=1S/C12H12BrN5/c1-2-16-12-8(7-14)11(15)18(17-12)10-6-4-3-5-9(10)13/h3-6H,2,15H2,1H3,(H,16,17)
InChIKeyDPQYPWDXSMEDMN-UHFFFAOYSA-N
XLogP2.52
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-(2-bromophenyl)-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile
CID 102795890
5-amino-1-(2-bromophenyl)-3-(propan-2-ylamino)pyrazole-4-carbonitrile
CID 102795888
5-amino-1-(4-bromo-2-methylphenyl)-3-(ethylamino)pyrazole-4-carbonitrile
CID 102796849
5-amino-1-(4,6-dimethylpyrimidin-2-yl)-3-(ethylamino)pyrazole-4-carbonitrile
CID 102795345
5-amino-3-(cyclopropylmethylamino)-1-(2-fluorophenyl)pyrazole-4-carbonitrile
CID 102795506
5-amino-1-(2,5-dimethylphenyl)-3-(propylamino)pyrazole-4-carbonitrile
CID 102795681
5-amino-1-tert-butyl-3-(ethylamino)pyrazole-4-carbonitrile
CID 102795655
5-amino-1-(3-bromophenyl)-3-(2,2,2-trifluoroethylamino)pyrazole-4-carbonitrile
CID 102795877
5-amino-1-(3-bromophenyl)-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile
CID 102795874
5-amino-3-(diethylamino)-1-(2-methylphenyl)pyrazole-4-carbonitrile
CID 102795550
5-amino-1-(3,4-dichlorophenyl)-3-(propylamino)pyrazole-4-carbonitrile
CID 102795388
5-amino-1-(5-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethylamino)pyrazole-4-carbonitrile
CID 102796719

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-bromophenyl)-3-(ethylamino)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(2-bromophenyl)-3-(ethylamino)pyrazole-4-carbonitrile (CID 102795895) is 5-amino-1-(2-bromophenyl)-3-(ethylamino)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(2-bromophenyl)-3-(ethylamino)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(2-bromophenyl)-3-(ethylamino)pyrazole-4-carbonitrile is CCNc1nn(-c2ccccc2Br)c(N)c1C#N.
What is the InChIKey of 5-amino-1-(2-bromophenyl)-3-(ethylamino)pyrazole-4-carbonitrile?
The InChIKey is DPQYPWDXSMEDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5/c1-2-16-12-8(7-14)11(15)18(17-12)10-6-4-3-5-9(10)13/h3-6H,2,15H2,1H3,(H,16,17).
What are the key properties of 5-amino-1-(2-bromophenyl)-3-(ethylamino)pyrazole-4-carbonitrile?
5-amino-1-(2-bromophenyl)-3-(ethylamino)pyrazole-4-carbonitrile has a molecular weight of 306.17 g/mol, XLogP of 2.52, 3 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-(ethylamino)pyrazole-4-carbonitrile is sourced from PubChem (CID 102795895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).