5-amino-1-[(4-bromophenyl)methyl]-3-cyclopropylpyrazole-4-carbonitrile

C14H13BrN4 — CID 100765214

IUPAC5-amino-1-[(4-bromophenyl)methyl]-3-cyclopropylpyrazole-4-carbonitrile
SMILESN#Cc1c(C2CC2)nn(Cc2ccc(Br)cc2)c1N
InChIInChI=1S/C14H13BrN4/c15-11-5-1-9(2-6-11)8-19-14(17)12(7-16)13(18-19)10-3-4-10/h1-2,5-6,10H,3-4,8,17H2
InChIKeyNMGHEDQOJSKFIR-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.03
Rot. Bonds3

About 5-amino-1-[(4-bromophenyl)methyl]-3-cyclopropylpyrazole-4-carbonitrile

5-amino-1-[(4-bromophenyl)methyl]-3-cyclopropylpyrazole-4-carbonitrile (PubChem CID 100765214) has the molecular formula C14H13BrN4 and a molecular weight of 317.19 g/mol. Its IUPAC name is 5-amino-1-[(4-bromophenyl)methyl]-3-cyclopropylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[(4-bromophenyl)methyl]-3-cyclopropylpyrazole-4-carbonitrile
PubChem CID100765214
Molecular FormulaC14H13BrN4
Molecular Weight317.19 g/mol
Exact Mass316.03
IUPAC Name5-amino-1-[(4-bromophenyl)methyl]-3-cyclopropylpyrazole-4-carbonitrile
SMILESN#Cc1c(C2CC2)nn(Cc2ccc(Br)cc2)c1N
InChIInChI=1S/C14H13BrN4/c15-11-5-1-9(2-6-11)8-19-14(17)12(7-16)13(18-19)10-3-4-10/h1-2,5-6,10H,3-4,8,17H2
InChIKeyNMGHEDQOJSKFIR-UHFFFAOYSA-N
XLogP3.03
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-diamino-1-[(4-bromophenyl)methyl]pyrazole-4-carbonitrile
CID 102826270
5-amino-1-[(4-bromophenyl)methyl]-3-(methylamino)pyrazole-4-carbonitrile
CID 102796548
5-amino-1-[(4-bromophenyl)methyl]-4-cyanopyrazole-3-carboxylic acid
CID 82589897
5-amino-1-[(2-chlorophenyl)methyl]-3-cyclopentylpyrazole-4-carbonitrile
CID 100764251
5-amino-1-[(4-bromophenyl)methyl]-3-(propylamino)pyrazole-4-carbonitrile
CID 102796555
1-[(4-bromophenyl)methyl]-5-chloro-3-cyclopropylpyrazole-4-carboxylic acid
CID 63354029
1-[(4-bromophenyl)methyl]-5-chloro-3-cyclopropylpyrazole-4-sulfonyl chloride
CID 82915854
5-amino-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 100765048
5-amino-3-[(4-bromophenyl)methyl]-1-[(2-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 100764754
5-amino-1-[(3,4-dichlorophenyl)methyl]-3-propylpyrazole-4-carbonitrile
CID 100765984
5-amino-1-benzyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102795490
5-amino-3-[(4-bromophenyl)methyl]-1-pentylpyrazole-4-carbonitrile
CID 100763466

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(4-bromophenyl)methyl]-3-cyclopropylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[(4-bromophenyl)methyl]-3-cyclopropylpyrazole-4-carbonitrile (CID 100765214) is 5-amino-1-[(4-bromophenyl)methyl]-3-cyclopropylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[(4-bromophenyl)methyl]-3-cyclopropylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[(4-bromophenyl)methyl]-3-cyclopropylpyrazole-4-carbonitrile is N#Cc1c(C2CC2)nn(Cc2ccc(Br)cc2)c1N.
What is the InChIKey of 5-amino-1-[(4-bromophenyl)methyl]-3-cyclopropylpyrazole-4-carbonitrile?
The InChIKey is NMGHEDQOJSKFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4/c15-11-5-1-9(2-6-11)8-19-14(17)12(7-16)13(18-19)10-3-4-10/h1-2,5-6,10H,3-4,8,17H2.
What are the key properties of 5-amino-1-[(4-bromophenyl)methyl]-3-cyclopropylpyrazole-4-carbonitrile?
5-amino-1-[(4-bromophenyl)methyl]-3-cyclopropylpyrazole-4-carbonitrile has a molecular weight of 317.19 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(4-bromophenyl)methyl]-3-cyclopropylpyrazole-4-carbonitrile is sourced from PubChem (CID 100765214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).