2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chlorophenyl)-N-ethylethanamine

C17H24ClN3 — CID 64785505

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccn(C(C)CC)n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3/c1-4-13(3)21-11-10-16(20-21)12-17(19-5-2)14-6-8-15(18)9-7-14/h6-11,13,17,19H,4-5,12H2,1-3H3
InChIKeyBXVDNDQCTYFVMN-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.40
Rot. Bonds7

About 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chlorophenyl)-N-ethylethanamine

2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chlorophenyl)-N-ethylethanamine (PubChem CID 64785505) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chlorophenyl)-N-ethylethanamine
PubChem CID64785505
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccn(C(C)CC)n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3/c1-4-13(3)21-11-10-16(20-21)12-17(19-5-2)14-6-8-15(18)9-7-14/h6-11,13,17,19H,4-5,12H2,1-3H3
InChIKeyBXVDNDQCTYFVMN-UHFFFAOYSA-N
XLogP4.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923494
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(4-chlorophenyl)ethanamine
CID 64799716
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-phenylethanamine
CID 64777420
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine
CID 103444581
N-ethyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-phenylethanamine
CID 64777619
2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 104989694
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-4-methylpentan-2-amine
CID 64784151
1-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-3-methoxypentan-2-amine
CID 116715887
2-(1-butan-2-ylpyrazol-3-yl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105154726
[2-(1-butan-2-ylpyrazol-3-yl)-1-(4-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105204127
1-(2-bromo-4-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)-N-methylethanamine
CID 107993553
2-(1-butan-2-ylpyrazol-3-yl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine
CID 107968388

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chlorophenyl)-N-ethylethanamine?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chlorophenyl)-N-ethylethanamine (CID 64785505) is 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chlorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chlorophenyl)-N-ethylethanamine is CCNC(Cc1ccn(C(C)CC)n1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chlorophenyl)-N-ethylethanamine?
The InChIKey is BXVDNDQCTYFVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-4-13(3)21-11-10-16(20-21)12-17(19-5-2)14-6-8-15(18)9-7-14/h6-11,13,17,19H,4-5,12H2,1-3H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chlorophenyl)-N-ethylethanamine?
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chlorophenyl)-N-ethylethanamine has a molecular weight of 305.85 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-(4-chlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 64785505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).