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

C12H20ClN3 — CID 116538698

IUPAC3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-methylcyclopentan-1-amine
SMILESCc1nn(C)c(CC2(C)CCC(N)C2)c1Cl
InChIInChI=1S/C12H20ClN3/c1-8-11(13)10(16(3)15-8)7-12(2)5-4-9(14)6-12/h9H,4-7,14H2,1-3H3
InChIKeyPUORIZIZZVFFNC-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.44
Rot. Bonds2

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

3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-methylcyclopentan-1-amine (PubChem CID 116538698) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-methylcyclopentan-1-amine
PubChem CID116538698
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-methylcyclopentan-1-amine
SMILESCc1nn(C)c(CC2(C)CCC(N)C2)c1Cl
InChIInChI=1S/C12H20ClN3/c1-8-11(13)10(16(3)15-8)7-12(2)5-4-9(14)6-12/h9H,4-7,14H2,1-3H3
InChIKeyPUORIZIZZVFFNC-UHFFFAOYSA-N
XLogP2.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluorocyclohexan-1-amine
CID 112562505
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropan-1-amine
CID 66025319
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 81013682
5-[(3-bromo-1-methylcyclopentyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole
CID 116540540
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclobutan-1-ol
CID 79081887
4-chloro-5-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole
CID 66033786
N-[[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66026465
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429583
3-methyl-3-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 116538769
5-[[1-(bromomethyl)cyclobutyl]methyl]-4-chloro-1,3-dimethylpyrazole
CID 66049102
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116539264
3-amino-1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,3-dihydroinden-1-ol
CID 107089736

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-methylcyclopentan-1-amine?
The IUPAC name of 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-methylcyclopentan-1-amine (CID 116538698) is 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-methylcyclopentan-1-amine is Cc1nn(C)c(CC2(C)CCC(N)C2)c1Cl.
What is the InChIKey of 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-methylcyclopentan-1-amine?
The InChIKey is PUORIZIZZVFFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-8-11(13)10(16(3)15-8)7-12(2)5-4-9(14)6-12/h9H,4-7,14H2,1-3H3.
What are the key properties of 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-methylcyclopentan-1-amine?
3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-methylcyclopentan-1-amine has a molecular weight of 241.77 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 116538698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).