1-[(4-chloropyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine

C9H12ClN5 — CID 19616935

IUPAC1-[(4-chloropyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(Cn2cc(Cl)cn2)c(C)c1N
InChIInChI=1S/C9H12ClN5/c1-6-9(11)7(2)15(13-6)5-14-4-8(10)3-12-14/h3-4H,5,11H2,1-2H3
InChIKeyHARQDMXDYFZQJS-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.44
Rot. Bonds2

About 1-[(4-chloropyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine

1-[(4-chloropyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine (PubChem CID 19616935) has the molecular formula C9H12ClN5 and a molecular weight of 225.68 g/mol. Its IUPAC name is 1-[(4-chloropyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(4-chloropyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine
PubChem CID19616935
Molecular FormulaC9H12ClN5
Molecular Weight225.68 g/mol
Exact Mass225.08
IUPAC Name1-[(4-chloropyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine
SMILESCc1nn(Cn2cc(Cl)cn2)c(C)c1N
InChIInChI=1S/C9H12ClN5/c1-6-9(11)7(2)15(13-6)5-14-4-8(10)3-12-14/h3-4H,5,11H2,1-2H3
InChIKeyHARQDMXDYFZQJS-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-1-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-3-amine
CID 19618528
1-[[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazol-4-amine
CID 19618534
1-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-pyrazol-4-amine
CID 17024649
1-[3-(4-Chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(1,5-dimethylpyrazol-4-yl)thiourea
CID 19334180
4-Chloro-1-[(3,5-dimethyl-1H-pyrazol-1-YL)methyl]-1H-pyrazol-3-amine
CID 19618524
4-Chloro-1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-amine
CID 19618525
1-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrazol-4-amine
CID 19618531
3,5-Dimethyl-1-(1H-pyrazol-1-ylmethyl)-1H-pyrazol-4-amine
CID 19618535
1-[(4-Chloro-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine
CID 19618536
3,5-Dimethyl-1-[(4-methylpyrazol-1-yl)methyl]pyrazol-4-amine
CID 19618537
4-Chloro-3,5-dimethyl-1-[(4-nitropyrazol-1-yl)methyl]pyrazole
CID 19620183
1-[(4-Chloropyrazol-1-yl)methyl]-3,5-dimethyl-4-nitropyrazole
CID 19620186

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloropyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine?
The IUPAC name of 1-[(4-chloropyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine (CID 19616935) is 1-[(4-chloropyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 1-[(4-chloropyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for 1-[(4-chloropyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine is Cc1nn(Cn2cc(Cl)cn2)c(C)c1N.
What is the InChIKey of 1-[(4-chloropyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine?
The InChIKey is HARQDMXDYFZQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5/c1-6-9(11)7(2)15(13-6)5-14-4-8(10)3-12-14/h3-4H,5,11H2,1-2H3.
What are the key properties of 1-[(4-chloropyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine?
1-[(4-chloropyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine has a molecular weight of 225.68 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloropyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 19616935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).