1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,4-dimethylcyclohexan-1-amine

C14H24ClN3 — CID 113470102

IUPAC1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCc1nn(C)c(Cl)c1CC1(N)CCC(C)CC1C
InChIInChI=1S/C14H24ClN3/c1-9-5-6-14(16,10(2)7-9)8-12-11(3)17-18(4)13(12)15/h9-10H,5-8,16H2,1-4H3
InChIKeyNZOHYUOGCLEXGZ-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.08
Rot. Bonds2

About 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,4-dimethylcyclohexan-1-amine

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 113470102) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID113470102
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,4-dimethylcyclohexan-1-amine
SMILESCc1nn(C)c(Cl)c1CC1(N)CCC(C)CC1C
InChIInChI=1S/C14H24ClN3/c1-9-5-6-14(16,10(2)7-9)8-12-11(3)17-18(4)13(12)15/h9-10H,5-8,16H2,1-4H3
InChIKeyNZOHYUOGCLEXGZ-UHFFFAOYSA-N
XLogP3.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 113470727
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]cyclooctan-1-amine
CID 113470743
1-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethyl]cyclopropan-1-amine
CID 105467286
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,3-dimethylcyclopentan-1-amine
CID 116539264
1-[(3,5-dimethylphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 64776189
1-(aminomethyl)-2,4-dimethylcyclohexan-1-amine
CID 64761739
1-[(1-ethylimidazol-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 79744452
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone
CID 116749459
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429553
5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole
CID 61224422
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449671
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 113352478

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,4-dimethylcyclohexan-1-amine (CID 113470102) is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,4-dimethylcyclohexan-1-amine is Cc1nn(C)c(Cl)c1CC1(N)CCC(C)CC1C.
What is the InChIKey of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is NZOHYUOGCLEXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-9-5-6-14(16,10(2)7-9)8-12-11(3)17-18(4)13(12)15/h9-10H,5-8,16H2,1-4H3.
What are the key properties of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,4-dimethylcyclohexan-1-amine?
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 113470102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).