4-chloro-1-(2-methylcyclobutyl)pyrazol-5-amine

C8H12ClN3 — CID 130554541

IUPAC4-chloro-1-(2-methylcyclobutyl)pyrazol-5-amine
SMILESCC1CCC1n1ncc(Cl)c1N
InChIInChI=1S/C8H12ClN3/c1-5-2-3-7(5)12-8(10)6(9)4-11-12/h4-5,7H,2-3,10H2,1H3
InChIKeyVKKHPWIHIXFASY-UHFFFAOYSA-N
MW185.66 g/mol
LogP2.09
Rot. Bonds1

About 4-chloro-1-(2-methylcyclobutyl)pyrazol-5-amine

4-chloro-1-(2-methylcyclobutyl)pyrazol-5-amine (PubChem CID 130554541) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 4-chloro-1-(2-methylcyclobutyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-1-(2-methylcyclobutyl)pyrazol-5-amine
PubChem CID130554541
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name4-chloro-1-(2-methylcyclobutyl)pyrazol-5-amine
SMILESCC1CCC1n1ncc(Cl)c1N
InChIInChI=1S/C8H12ClN3/c1-5-2-3-7(5)12-8(10)6(9)4-11-12/h4-5,7H,2-3,10H2,1H3
InChIKeyVKKHPWIHIXFASY-UHFFFAOYSA-N
XLogP2.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclopentyl-4-methyl-1H-pyrazol-5-amine
CID 28063967
4-chloro-1-(propan-2-yl)-1H-pyrazol-3-amine hydrochloride
CID 90484325
4-Chloro-1-isopropyl-1H-pyrazol-3-amine
CID 19619842
4-Chloro-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64754279
4-Chloro-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64758415
4-Chloro-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine
CID 116535092
4-Chloro-1-[(3,3-difluorocyclobutyl)methyl]-1H-pyrazol-3-amine
CID 130859928
4-chloro-1-(4,4-difluoro-2-methylbutyl)-1H-pyrazol-3-amine
CID 165472724
4-chloro-1-(2-ethyl-4,4-difluorobutyl)-1H-pyrazol-3-amine
CID 165472775
4-chloro-1-(5-fluoropentyl)-1H-pyrazol-3-amine
CID 165473256
4-chloro-1-(4,4,4-trifluoro-2-methylbutyl)-1H-pyrazol-3-amine
CID 165479768
4-chloro-1-(4,4-difluoropentyl)-1H-pyrazol-3-amine
CID 165848622

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-methylcyclobutyl)pyrazol-5-amine?
The IUPAC name of 4-chloro-1-(2-methylcyclobutyl)pyrazol-5-amine (CID 130554541) is 4-chloro-1-(2-methylcyclobutyl)pyrazol-5-amine.
What is the SMILES notation for 4-chloro-1-(2-methylcyclobutyl)pyrazol-5-amine?
The canonical SMILES for 4-chloro-1-(2-methylcyclobutyl)pyrazol-5-amine is CC1CCC1n1ncc(Cl)c1N.
What is the InChIKey of 4-chloro-1-(2-methylcyclobutyl)pyrazol-5-amine?
The InChIKey is VKKHPWIHIXFASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-5-2-3-7(5)12-8(10)6(9)4-11-12/h4-5,7H,2-3,10H2,1H3.
What are the key properties of 4-chloro-1-(2-methylcyclobutyl)pyrazol-5-amine?
4-chloro-1-(2-methylcyclobutyl)pyrazol-5-amine has a molecular weight of 185.66 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-methylcyclobutyl)pyrazol-5-amine is sourced from PubChem (CID 130554541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).