4-chloro-3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrazol-5-amine

C12H20ClN3 — CID 106662917

IUPAC4-chloro-3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrazol-5-amine
SMILESCc1nn(C2CC(C)(C)CC2C)c(N)c1Cl
InChIInChI=1S/C12H20ClN3/c1-7-5-12(3,4)6-9(7)16-11(14)10(13)8(2)15-16/h7,9H,5-6,14H2,1-4H3
InChIKeyXRJDCKWRBRVMAY-UHFFFAOYSA-N
MW241.77 g/mol
LogP3.42
Rot. Bonds1

About 4-chloro-3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrazol-5-amine

4-chloro-3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrazol-5-amine (PubChem CID 106662917) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 4-chloro-3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrazol-5-amine
PubChem CID106662917
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name4-chloro-3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrazol-5-amine
SMILESCc1nn(C2CC(C)(C)CC2C)c(N)c1Cl
InChIInChI=1S/C12H20ClN3/c1-7-5-12(3,4)6-9(7)16-11(14)10(13)8(2)15-16/h7,9H,5-6,14H2,1-4H3
InChIKeyXRJDCKWRBRVMAY-UHFFFAOYSA-N
XLogP3.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrazol-5-amine?
The IUPAC name of 4-chloro-3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrazol-5-amine (CID 106662917) is 4-chloro-3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrazol-5-amine.
What is the SMILES notation for 4-chloro-3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrazol-5-amine?
The canonical SMILES for 4-chloro-3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrazol-5-amine is Cc1nn(C2CC(C)(C)CC2C)c(N)c1Cl.
What is the InChIKey of 4-chloro-3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrazol-5-amine?
The InChIKey is XRJDCKWRBRVMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-7-5-12(3,4)6-9(7)16-11(14)10(13)8(2)15-16/h7,9H,5-6,14H2,1-4H3.
What are the key properties of 4-chloro-3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrazol-5-amine?
4-chloro-3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrazol-5-amine has a molecular weight of 241.77 g/mol, XLogP of 3.42, 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-(2,4,4-trimethylcyclopentyl)pyrazol-5-amine is sourced from PubChem (CID 106662917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).