4-(chloromethyl)-1,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazol-5-amine

C15H28ClN3 — CID 79483802

IUPAC4-(chloromethyl)-1,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazol-5-amine
SMILESCCC(CC)N(CC(C)C)c1c(CCl)c(C)nn1C
InChIInChI=1S/C15H28ClN3/c1-7-13(8-2)19(10-11(3)4)15-14(9-16)12(5)17-18(15)6/h11,13H,7-10H2,1-6H3
InChIKeyWYQIGXXPCCWCIA-UHFFFAOYSA-N
MW285.86 g/mol
LogP4.12
Rot. Bonds7

About 4-(chloromethyl)-1,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazol-5-amine

4-(chloromethyl)-1,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazol-5-amine (PubChem CID 79483802) has the molecular formula C15H28ClN3 and a molecular weight of 285.86 g/mol. Its IUPAC name is 4-(chloromethyl)-1,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(chloromethyl)-1,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazol-5-amine
PubChem CID79483802
Molecular FormulaC15H28ClN3
Molecular Weight285.86 g/mol
Exact Mass285.20
IUPAC Name4-(chloromethyl)-1,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazol-5-amine
SMILESCCC(CC)N(CC(C)C)c1c(CCl)c(C)nn1C
InChIInChI=1S/C15H28ClN3/c1-7-13(8-2)19(10-11(3)4)15-14(9-16)12(5)17-18(15)6/h11,13H,7-10H2,1-6H3
InChIKeyWYQIGXXPCCWCIA-UHFFFAOYSA-N
XLogP4.12
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-1,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazol-5-amine
CID 79483836
1,3-dimethyl-5-[2-methylpropyl(pentan-3-yl)amino]pyrazole-4-carbothioamide
CID 79491037
3-[[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]butanenitrile
CID 63223522
4-(aminomethyl)-N,1,3-trimethyl-N-(2-methylbutyl)pyrazol-5-amine
CID 43296122
4-[(tert-butylamino)methyl]-N-ethyl-1,3-dimethyl-N-(2-methylpropyl)pyrazol-5-amine
CID 63059837
4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine
CID 62979740
4-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-1,3-dimethylpyrazol-5-amine
CID 63697047
N-butan-2-yl-N-(2-methoxyethyl)-1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-amine
CID 54999803
4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(3-methylphenyl)pyrazol-5-amine
CID 61077307
4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(pyridin-4-ylmethyl)pyrazol-5-amine
CID 61449270
1,3-dimethyl-4-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazol-5-amine
CID 107870543
4-(bromomethyl)-N-butan-2-yl-N,1,3-trimethylpyrazol-5-amine
CID 107080060

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazol-5-amine?
The IUPAC name of 4-(chloromethyl)-1,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazol-5-amine (CID 79483802) is 4-(chloromethyl)-1,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazol-5-amine.
What is the SMILES notation for 4-(chloromethyl)-1,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazol-5-amine?
The canonical SMILES for 4-(chloromethyl)-1,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazol-5-amine is CCC(CC)N(CC(C)C)c1c(CCl)c(C)nn1C.
What is the InChIKey of 4-(chloromethyl)-1,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazol-5-amine?
The InChIKey is WYQIGXXPCCWCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN3/c1-7-13(8-2)19(10-11(3)4)15-14(9-16)12(5)17-18(15)6/h11,13H,7-10H2,1-6H3.
What are the key properties of 4-(chloromethyl)-1,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazol-5-amine?
4-(chloromethyl)-1,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazol-5-amine has a molecular weight of 285.86 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylpyrazol-5-amine is sourced from PubChem (CID 79483802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).