3-[(4-bromopyrazol-1-yl)methyl]-1-cyclohexylpyrazole

C13H17BrN4 — CID 64777851

IUPAC3-[(4-bromopyrazol-1-yl)methyl]-1-cyclohexylpyrazole
SMILESBrc1cnn(Cc2ccn(C3CCCCC3)n2)c1
InChIInChI=1S/C13H17BrN4/c14-11-8-15-17(9-11)10-12-6-7-18(16-12)13-4-2-1-3-5-13/h6-9,13H,1-5,10H2
InChIKeySKDNHBXFBPDLCP-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.40
Rot. Bonds3

About 3-[(4-bromopyrazol-1-yl)methyl]-1-cyclohexylpyrazole

3-[(4-bromopyrazol-1-yl)methyl]-1-cyclohexylpyrazole (PubChem CID 64777851) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 3-[(4-bromopyrazol-1-yl)methyl]-1-cyclohexylpyrazole.

Molecular Properties

Compound Name3-[(4-bromopyrazol-1-yl)methyl]-1-cyclohexylpyrazole
PubChem CID64777851
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name3-[(4-bromopyrazol-1-yl)methyl]-1-cyclohexylpyrazole
SMILESBrc1cnn(Cc2ccn(C3CCCCC3)n2)c1
InChIInChI=1S/C13H17BrN4/c14-11-8-15-17(9-11)10-12-6-7-18(16-12)13-4-2-1-3-5-13/h6-9,13H,1-5,10H2
InChIKeySKDNHBXFBPDLCP-UHFFFAOYSA-N
XLogP3.40
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(4-bromopyrazol-1-yl)methyl]-1-cyclohexylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-(chloromethyl)pyrazol-1-yl]methyl]-1-cyclohexylpyrazole
CID 64779298
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride
CID 64778434
1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-sulfonyl chloride
CID 64778631
methyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrazole-4-carboxylate
CID 163333274
4-(chloromethyl)-1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole
CID 64778866
4-(1-bromoethyl)-1-[(1-cyclohexylpyrazol-3-yl)methyl]triazole
CID 81448654
3-amino-5-bromo-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
CID 103962037
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
1-cyclohexyl-3-ethylpyrazole
CID 66014335
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]triazol-4-yl]ethanol
CID 64778669
2-[1-[(1-cyclohexylpyrazol-3-yl)methyl]triazol-4-yl]propan-2-amine
CID 64779259
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
CID 116622240

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-1-cyclohexylpyrazole?
The IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-1-cyclohexylpyrazole (CID 64777851) is 3-[(4-bromopyrazol-1-yl)methyl]-1-cyclohexylpyrazole.
What is the SMILES notation for 3-[(4-bromopyrazol-1-yl)methyl]-1-cyclohexylpyrazole?
The canonical SMILES for 3-[(4-bromopyrazol-1-yl)methyl]-1-cyclohexylpyrazole is Brc1cnn(Cc2ccn(C3CCCCC3)n2)c1.
What is the InChIKey of 3-[(4-bromopyrazol-1-yl)methyl]-1-cyclohexylpyrazole?
The InChIKey is SKDNHBXFBPDLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c14-11-8-15-17(9-11)10-12-6-7-18(16-12)13-4-2-1-3-5-13/h6-9,13H,1-5,10H2.
What are the key properties of 3-[(4-bromopyrazol-1-yl)methyl]-1-cyclohexylpyrazole?
3-[(4-bromopyrazol-1-yl)methyl]-1-cyclohexylpyrazole has a molecular weight of 309.21 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromopyrazol-1-yl)methyl]-1-cyclohexylpyrazole is sourced from PubChem (CID 64777851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).