3-bromo-1-methyl-5-(methylamino)pyrazole-4-carbonitrile

C6H7BrN4 — CID 118024601

IUPAC3-bromo-1-methyl-5-(methylamino)pyrazole-4-carbonitrile
SMILESCNc1c(C#N)c(Br)nn1C
InChIInChI=1S/C6H7BrN4/c1-9-6-4(3-8)5(7)10-11(6)2/h9H,1-2H3
InChIKeySIGXTRGWPMRKMW-UHFFFAOYSA-N
MW215.05 g/mol
LogP1.10
Rot. Bonds1

About 3-bromo-1-methyl-5-(methylamino)pyrazole-4-carbonitrile

3-bromo-1-methyl-5-(methylamino)pyrazole-4-carbonitrile (PubChem CID 118024601) has the molecular formula C6H7BrN4 and a molecular weight of 215.05 g/mol. Its IUPAC name is 3-bromo-1-methyl-5-(methylamino)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-bromo-1-methyl-5-(methylamino)pyrazole-4-carbonitrile
PubChem CID118024601
Molecular FormulaC6H7BrN4
Molecular Weight215.05 g/mol
Exact Mass213.99
IUPAC Name3-bromo-1-methyl-5-(methylamino)pyrazole-4-carbonitrile
SMILESCNc1c(C#N)c(Br)nn1C
InChIInChI=1S/C6H7BrN4/c1-9-6-4(3-8)5(7)10-11(6)2/h9H,1-2H3
InChIKeySIGXTRGWPMRKMW-UHFFFAOYSA-N
XLogP1.10
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1,4-dimethyl-1H-pyrazol-3-amine
CID 178200152
3-Bromo-5-(methylamino)-1-(2,2,2-trifluoroethyl)pyrazole-4-carbonitrile
CID 121273502
5-amino-3-bromo-1-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carbonitrile
CID 162755920
5-amino-3-bromo-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-4-carbonitrile
CID 162755960
3-Bromo-1-methyl-4-(trifluoromethyl)pyrazol-5-amine
CID 171093624
5-Amino-3-bromo-1-(2,2,2-trifluoroethyl)pyrazole-4-carbonitrile
CID 172219051
5-Amino-3-bromo-1-(1,3-difluoropropan-2-yl)pyrazole-4-carbonitrile
CID 176405109
3,5-diamino-1-methyl-1H-pyrazole-4-carbonitrile
CID 12621028
3-Amino-1-methyl-5-(methylamino)-1H-pyrazole-4-carbonitrile
CID 20395951
3-Amino-4-cyano-1-methyl-5-dimethylaminopyrazole
CID 20395979
5-N,1,4-trimethylpyrazole-3,5-diamine
CID 58579600
5-Amino-3-bromo-1-methyl-1H-pyrazole-4-carbonitrile
CID 71742322

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-5-(methylamino)pyrazole-4-carbonitrile?
The IUPAC name of 3-bromo-1-methyl-5-(methylamino)pyrazole-4-carbonitrile (CID 118024601) is 3-bromo-1-methyl-5-(methylamino)pyrazole-4-carbonitrile.
What is the SMILES notation for 3-bromo-1-methyl-5-(methylamino)pyrazole-4-carbonitrile?
The canonical SMILES for 3-bromo-1-methyl-5-(methylamino)pyrazole-4-carbonitrile is CNc1c(C#N)c(Br)nn1C.
What is the InChIKey of 3-bromo-1-methyl-5-(methylamino)pyrazole-4-carbonitrile?
The InChIKey is SIGXTRGWPMRKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN4/c1-9-6-4(3-8)5(7)10-11(6)2/h9H,1-2H3.
What are the key properties of 3-bromo-1-methyl-5-(methylamino)pyrazole-4-carbonitrile?
3-bromo-1-methyl-5-(methylamino)pyrazole-4-carbonitrile has a molecular weight of 215.05 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-5-(methylamino)pyrazole-4-carbonitrile is sourced from PubChem (CID 118024601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).