5-chloro-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpentan-1-amine

C13H23Cl2N3 — CID 107205022

IUPAC5-chloro-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpentan-1-amine
SMILESCCn1nc(C)c(Cl)c1CN(C)CCCCCCl
InChIInChI=1S/C13H23Cl2N3/c1-4-18-12(13(15)11(2)16-18)10-17(3)9-7-5-6-8-14/h4-10H2,1-3H3
InChIKeyPYVIUKVNYACMHI-UHFFFAOYSA-N
MW292.25 g/mol
LogP3.71
Rot. Bonds8

About 5-chloro-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpentan-1-amine

5-chloro-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpentan-1-amine (PubChem CID 107205022) has the molecular formula C13H23Cl2N3 and a molecular weight of 292.25 g/mol. Its IUPAC name is 5-chloro-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-chloro-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpentan-1-amine
PubChem CID107205022
Molecular FormulaC13H23Cl2N3
Molecular Weight292.25 g/mol
Exact Mass291.13
IUPAC Name5-chloro-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpentan-1-amine
SMILESCCn1nc(C)c(Cl)c1CN(C)CCCCCCl
InChIInChI=1S/C13H23Cl2N3/c1-4-18-12(13(15)11(2)16-18)10-17(3)9-7-5-6-8-14/h4-10H2,1-3H3
InChIKeyPYVIUKVNYACMHI-UHFFFAOYSA-N
XLogP3.71
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115317930
3-bromo-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-propan-2-ylpropan-1-amine
CID 80690974
4-[[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114953005
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)hexan-2-amine
CID 79411894
4-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79111078
N-[[3-(aminomethyl)-4-chloro-1-ethylpyrazol-5-yl]methyl]-N-methylethanamine
CID 169145998
4-chloro-5-(5-chloropent-2-enyl)-1-ethyl-3-methylpyrazole
CID 79603685
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl-prop-2-enylamino]acetic acid
CID 79277329
3-bromo-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-methylbutan-1-amine
CID 113499968
5,6-dichloro-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrimidin-4-one
CID 114583038
N-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-ethoxy-N-methylethanamine
CID 81062245
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)decan-2-ol
CID 115813367

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpentan-1-amine?
The IUPAC name of 5-chloro-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpentan-1-amine (CID 107205022) is 5-chloro-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpentan-1-amine.
What is the SMILES notation for 5-chloro-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpentan-1-amine?
The canonical SMILES for 5-chloro-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpentan-1-amine is CCn1nc(C)c(Cl)c1CN(C)CCCCCCl.
What is the InChIKey of 5-chloro-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpentan-1-amine?
The InChIKey is PYVIUKVNYACMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23Cl2N3/c1-4-18-12(13(15)11(2)16-18)10-17(3)9-7-5-6-8-14/h4-10H2,1-3H3.
What are the key properties of 5-chloro-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpentan-1-amine?
5-chloro-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpentan-1-amine has a molecular weight of 292.25 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-methylpentan-1-amine is sourced from PubChem (CID 107205022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).