4-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine

C15H27ClN4 — CID 79111078

IUPAC4-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCCn1nc(C)c(Cl)c1CN(C)C1CCC(NC)CC1
InChIInChI=1S/C15H27ClN4/c1-5-20-14(15(16)11(2)18-20)10-19(4)13-8-6-12(17-3)7-9-13/h12-13,17H,5-10H2,1-4H3
InChIKeyKGVFPXZDXUBVPI-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.83
Rot. Bonds5

About 4-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine

4-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 79111078) has the molecular formula C15H27ClN4 and a molecular weight of 298.86 g/mol. Its IUPAC name is 4-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID79111078
Molecular FormulaC15H27ClN4
Molecular Weight298.86 g/mol
Exact Mass298.19
IUPAC Name4-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCCn1nc(C)c(Cl)c1CN(C)C1CCC(NC)CC1
InChIInChI=1S/C15H27ClN4/c1-5-20-14(15(16)11(2)18-20)10-19(4)13-8-6-12(17-3)7-9-13/h12-13,17H,5-10H2,1-4H3
InChIKeyKGVFPXZDXUBVPI-UHFFFAOYSA-N
XLogP2.83
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine with MolForge

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Related Compounds

5-chloro-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpentan-1-amine
CID 107205022
4-[[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114953005
N-[5-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-methylpent-3-enyl]cyclopropanamine
CID 79606791
1-N,4-N-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 82866259
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632130
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106616454
1-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115317930
4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122208
4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]thiolan-3-amine
CID 83196814
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclobutan-1-ol
CID 79081888
4-chloro-1-ethyl-3-methyl-5-[2-(oxiran-2-yl)ethyl]pyrazole
CID 115410517
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 104998654

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine (CID 79111078) is 4-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine is CCn1nc(C)c(Cl)c1CN(C)C1CCC(NC)CC1.
What is the InChIKey of 4-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is KGVFPXZDXUBVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4/c1-5-20-14(15(16)11(2)18-20)10-19(4)13-8-6-12(17-3)7-9-13/h12-13,17H,5-10H2,1-4H3.
What are the key properties of 4-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine?
4-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 298.86 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 79111078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).