4-chloro-3-methyl-1-(3-methylcyclobutyl)pyrazol-5-amine

C9H14ClN3 — CID 103562471

IUPAC4-chloro-3-methyl-1-(3-methylcyclobutyl)pyrazol-5-amine
SMILESCc1nn(C2CC(C)C2)c(N)c1Cl
InChIInChI=1S/C9H14ClN3/c1-5-3-7(4-5)13-9(11)8(10)6(2)12-13/h5,7H,3-4,11H2,1-2H3
InChIKeyMAGOVYZMXQFBCG-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.40
Rot. Bonds1

About 4-chloro-3-methyl-1-(3-methylcyclobutyl)pyrazol-5-amine

4-chloro-3-methyl-1-(3-methylcyclobutyl)pyrazol-5-amine (PubChem CID 103562471) has the molecular formula C9H14ClN3 and a molecular weight of 199.68 g/mol. Its IUPAC name is 4-chloro-3-methyl-1-(3-methylcyclobutyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-3-methyl-1-(3-methylcyclobutyl)pyrazol-5-amine
PubChem CID103562471
Molecular FormulaC9H14ClN3
Molecular Weight199.68 g/mol
Exact Mass199.09
IUPAC Name4-chloro-3-methyl-1-(3-methylcyclobutyl)pyrazol-5-amine
SMILESCc1nn(C2CC(C)C2)c(N)c1Cl
InChIInChI=1S/C9H14ClN3/c1-5-3-7(4-5)13-9(11)8(10)6(2)12-13/h5,7H,3-4,11H2,1-2H3
InChIKeyMAGOVYZMXQFBCG-UHFFFAOYSA-N
XLogP2.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1,5-dimethyl-1H-pyrazol-3-amine
CID 19616929
4-Chloro-3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64754481
4-Chloro-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pyrazol-5-amine
CID 64758622
4-Chloro-3-methyl-1-(6,6,6-trifluorohexan-2-yl)pyrazol-5-amine
CID 116535095
4-Chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-amine
CID 172417164
4-Chloro-1-isopropyl-5-methyl-1H-pyrazol-3-amine
CID 19619856
4-Chloro-1,3-dimethyl-1H-pyrazol-5-amine
CID 19619870
4-Chloro-1-ethyl-3-methyl-1H-pyrazol-5-amine
CID 19619871
4-Chloro-3-methyl-1-propan-2-ylpyrazol-5-amine
CID 19619874
4-chloro-N,1,3-trimethylpyrazol-5-amine
CID 54006212
1-ethyl-3,4-dimethyl-1H-pyrazol-5-amine
CID 57549030
1-Isopropyl-3,4-dimethyl-1H-pyrazol-5-amine
CID 61949161

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-1-(3-methylcyclobutyl)pyrazol-5-amine?
The IUPAC name of 4-chloro-3-methyl-1-(3-methylcyclobutyl)pyrazol-5-amine (CID 103562471) is 4-chloro-3-methyl-1-(3-methylcyclobutyl)pyrazol-5-amine.
What is the SMILES notation for 4-chloro-3-methyl-1-(3-methylcyclobutyl)pyrazol-5-amine?
The canonical SMILES for 4-chloro-3-methyl-1-(3-methylcyclobutyl)pyrazol-5-amine is Cc1nn(C2CC(C)C2)c(N)c1Cl.
What is the InChIKey of 4-chloro-3-methyl-1-(3-methylcyclobutyl)pyrazol-5-amine?
The InChIKey is MAGOVYZMXQFBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-5-3-7(4-5)13-9(11)8(10)6(2)12-13/h5,7H,3-4,11H2,1-2H3.
What are the key properties of 4-chloro-3-methyl-1-(3-methylcyclobutyl)pyrazol-5-amine?
4-chloro-3-methyl-1-(3-methylcyclobutyl)pyrazol-5-amine has a molecular weight of 199.68 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-1-(3-methylcyclobutyl)pyrazol-5-amine is sourced from PubChem (CID 103562471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).