1-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine

C16H22ClN3 — CID 103910362

IUPAC1-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
SMILESCc1c(C(C)NC(C)Cc2ccc(Cl)cc2)cnn1C
InChIInChI=1S/C16H22ClN3/c1-11(9-14-5-7-15(17)8-6-14)19-12(2)16-10-18-20(4)13(16)3/h5-8,10-12,19H,9H2,1-4H3
InChIKeyNTTQUMIGFBLXGZ-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.66
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine

1-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine (PubChem CID 103910362) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
PubChem CID103910362
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name1-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
SMILESCc1c(C(C)NC(C)Cc2ccc(Cl)cc2)cnn1C
InChIInChI=1S/C16H22ClN3/c1-11(9-14-5-7-15(17)8-6-14)19-12(2)16-10-18-20(4)13(16)3/h5-8,10-12,19H,9H2,1-4H3
InChIKeyNTTQUMIGFBLXGZ-UHFFFAOYSA-N
XLogP3.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105085259
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-phenylbutan-2-amine
CID 43751945
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine
CID 43751933
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 81146308
1-(4-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-2-amine
CID 43677712
1-(2,3-difluorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 103924707
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(3-methylphenyl)butan-2-amine
CID 61169749
N-[1-(2-bromophenyl)ethyl]-1-(4-chlorophenyl)propan-2-amine
CID 43677717
1-(5-chlorothiophen-2-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 43751905
N-(dicyclopropylmethyl)-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 43751954
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795
1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 43751951

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine (CID 103910362) is 1-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine is Cc1c(C(C)NC(C)Cc2ccc(Cl)cc2)cnn1C.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine?
The InChIKey is NTTQUMIGFBLXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-11(9-14-5-7-15(17)8-6-14)19-12(2)16-10-18-20(4)13(16)3/h5-8,10-12,19H,9H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine?
1-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine has a molecular weight of 291.83 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine is sourced from PubChem (CID 103910362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).