1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine

C17H24ClN3 — CID 114862591

IUPAC1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine
SMILESCCc1cc(CC)n(-c2ccc(Cl)cc2CC(N)CC)n1
InChIInChI=1S/C17H24ClN3/c1-4-14(19)10-12-9-13(18)7-8-17(12)21-16(6-3)11-15(5-2)20-21/h7-9,11,14H,4-6,10,19H2,1-3H3
InChIKeyIUVDKHNUVSCRTM-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.93
Rot. Bonds6

About 1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine

1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine (PubChem CID 114862591) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine
PubChem CID114862591
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine
SMILESCCc1cc(CC)n(-c2ccc(Cl)cc2CC(N)CC)n1
InChIInChI=1S/C17H24ClN3/c1-4-14(19)10-12-9-13(18)7-8-17(12)21-16(6-3)11-15(5-2)20-21/h7-9,11,14H,4-6,10,19H2,1-3H3
InChIKeyIUVDKHNUVSCRTM-UHFFFAOYSA-N
XLogP3.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]butan-2-amine
CID 114862477
1-[2-chloro-6-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine
CID 82699665
N-[[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 114854922
1-[2-(3,5-diethylpyrazol-1-yl)-5-fluorophenyl]propan-2-amine
CID 82700524
1-[4-(3,5-diethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine
CID 82699660
5-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
CID 82693817
1-[5-chloro-2-(2,2-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine
CID 114861034
5-chloro-1-(2,4-dichlorophenyl)-3-ethylpyrazole
CID 66021764
1-[4-(3,5-diethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
CID 82695072
4-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
CID 82694324
4-(3,5-diethylpyrazol-1-yl)-2,1,3-benzoxadiazol-7-amine
CID 82692657
1-[2-(2-aminobutyl)-4-chlorophenyl]pyrazole-4-carboxamide
CID 114862569

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine?
The IUPAC name of 1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine (CID 114862591) is 1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine?
The canonical SMILES for 1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine is CCc1cc(CC)n(-c2ccc(Cl)cc2CC(N)CC)n1.
What is the InChIKey of 1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine?
The InChIKey is IUVDKHNUVSCRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-4-14(19)10-12-9-13(18)7-8-17(12)21-16(6-3)11-15(5-2)20-21/h7-9,11,14H,4-6,10,19H2,1-3H3.
What are the key properties of 1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine?
1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine has a molecular weight of 305.85 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine is sourced from PubChem (CID 114862591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).