N-[1-(4-chlorophenyl)butyl]-1-(2-methoxyethyl)pyrazol-4-amine

C16H22ClN3O — CID 43728872

IUPACN-[1-(4-chlorophenyl)butyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCCCC(Nc1cnn(CCOC)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN3O/c1-3-4-16(13-5-7-14(17)8-6-13)19-15-11-18-20(12-15)9-10-21-2/h5-8,11-12,16,19H,3-4,9-10H2,1-2H3
InChIKeyUWWXXTDULVJHIE-UHFFFAOYSA-N
MW307.83 g/mol
LogP4.14
Rot. Bonds8

About N-[1-(4-chlorophenyl)butyl]-1-(2-methoxyethyl)pyrazol-4-amine

N-[1-(4-chlorophenyl)butyl]-1-(2-methoxyethyl)pyrazol-4-amine (PubChem CID 43728872) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)butyl]-1-(2-methoxyethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)butyl]-1-(2-methoxyethyl)pyrazol-4-amine
PubChem CID43728872
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC NameN-[1-(4-chlorophenyl)butyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCCCC(Nc1cnn(CCOC)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H22ClN3O/c1-3-4-16(13-5-7-14(17)8-6-13)19-15-11-18-20(12-15)9-10-21-2/h5-8,11-12,16,19H,3-4,9-10H2,1-2H3
InChIKeyUWWXXTDULVJHIE-UHFFFAOYSA-N
XLogP4.14
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729107
N-[1-(4-ethylphenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43728906
N-[1-(4-bromophenyl)propyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43728920
N-[1-(4-chlorophenyl)butyl]pyrimidin-5-amine
CID 107587805
1-ethyl-N-(1-phenylbutyl)pyrazol-4-amine
CID 43543366
1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 43200651
N-ethyl-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729152
2-N-[1-(2-methoxyethyl)pyrazol-4-yl]propane-1,2-diamine
CID 103388669
1-(2-methoxyethyl)-N-(4-methylpentan-2-yl)pyrazol-4-amine
CID 43729075
1-(2-methoxyethyl)-N-(1-phenylbutan-2-yl)pyrazol-4-amine
CID 79007290
1-(2-methoxyethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]pyrazol-4-amine
CID 43729057
1-(2-methoxyethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]pyrazol-4-amine
CID 43728912

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)butyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The IUPAC name of N-[1-(4-chlorophenyl)butyl]-1-(2-methoxyethyl)pyrazol-4-amine (CID 43728872) is N-[1-(4-chlorophenyl)butyl]-1-(2-methoxyethyl)pyrazol-4-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)butyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)butyl]-1-(2-methoxyethyl)pyrazol-4-amine is CCCC(Nc1cnn(CCOC)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)butyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The InChIKey is UWWXXTDULVJHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-3-4-16(13-5-7-14(17)8-6-13)19-15-11-18-20(12-15)9-10-21-2/h5-8,11-12,16,19H,3-4,9-10H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)butyl]-1-(2-methoxyethyl)pyrazol-4-amine?
N-[1-(4-chlorophenyl)butyl]-1-(2-methoxyethyl)pyrazol-4-amine has a molecular weight of 307.83 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)butyl]-1-(2-methoxyethyl)pyrazol-4-amine is sourced from PubChem (CID 43728872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).