[1-(4-chloro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine

C9H12ClN5 — CID 70967719

IUPAC[1-(4-chloro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine
SMILESCc1c(Cl)c(-n2ccc(CN)n2)nn1C
InChIInChI=1S/C9H12ClN5/c1-6-8(10)9(13-14(6)2)15-4-3-7(5-11)12-15/h3-4H,5,11H2,1-2H3
InChIKeyVDSBLCJDDZFCJR-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.03
Rot. Bonds2

About [1-(4-chloro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine

[1-(4-chloro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine (PubChem CID 70967719) has the molecular formula C9H12ClN5 and a molecular weight of 225.68 g/mol. Its IUPAC name is [1-(4-chloro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-chloro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine
PubChem CID70967719
Molecular FormulaC9H12ClN5
Molecular Weight225.68 g/mol
Exact Mass225.08
IUPAC Name[1-(4-chloro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine
SMILESCc1c(Cl)c(-n2ccc(CN)n2)nn1C
InChIInChI=1S/C9H12ClN5/c1-6-8(10)9(13-14(6)2)15-4-3-7(5-11)12-15/h3-4H,5,11H2,1-2H3
InChIKeyVDSBLCJDDZFCJR-UHFFFAOYSA-N
XLogP1.03
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-Fluoro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine
CID 70851823
4-Chloro-1,5-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole
CID 70967674
4-Fluoro-1,5-dimethyl-3-pyrazol-1-ylpyrazole
CID 89032514
4-Fluoro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole
CID 89032531
[1-(4-fluoro-5-methyl-1H-pyrazol-3-yl)pyrazol-3-yl]methanamine
CID 89147296
4-chloro-5-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrazole
CID 117670063
4-Fluoro-1,3-dimethyl-5-pyrazol-1-ylpyrazole
CID 117670105
4-Fluoro-1,3-dimethyl-5-(3-methylpyrazol-1-yl)pyrazole
CID 117670131
1-(1-Methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 171789572
1-(1-Methylpyrazol-3-yl)-5-(trifluoromethyl)pyrazol-4-amine
CID 176658736
1-Methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazol-4-amine
CID 103079008
1-(difluoromethyl)-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazol-3-amine
CID 122166507

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine?
The IUPAC name of [1-(4-chloro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine (CID 70967719) is [1-(4-chloro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(4-chloro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine?
The canonical SMILES for [1-(4-chloro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine is Cc1c(Cl)c(-n2ccc(CN)n2)nn1C.
What is the InChIKey of [1-(4-chloro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine?
The InChIKey is VDSBLCJDDZFCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5/c1-6-8(10)9(13-14(6)2)15-4-3-7(5-11)12-15/h3-4H,5,11H2,1-2H3.
What are the key properties of [1-(4-chloro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine?
[1-(4-chloro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine has a molecular weight of 225.68 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 70967719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).