1-(4-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine

C15H20ClN3 — CID 79003234

IUPAC1-(4-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCC(NCCc1cnn(C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3/c1-3-15(13-4-6-14(16)7-5-13)17-9-8-12-10-18-19(2)11-12/h4-7,10-11,15,17H,3,8-9H2,1-2H3
InChIKeyRMDFIRGTMURUGH-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.36
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine

1-(4-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 79003234) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID79003234
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name1-(4-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCC(NCCc1cnn(C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3/c1-3-15(13-4-6-14(16)7-5-13)17-9-8-12-10-18-19(2)11-12/h4-7,10-11,15,17H,3,8-9H2,1-2H3
InChIKeyRMDFIRGTMURUGH-UHFFFAOYSA-N
XLogP3.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 80682343
1-(3-chloro-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103010148
1-(4-chloro-3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 82994452
3-[2-(1-methylpyrazol-4-yl)ethylamino]-3-phenylpropanenitrile
CID 80689488
1-(4-iodophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682809
1-(4-chlorophenyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine
CID 54951481
N-[2-(4-chlorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 43497238
1-(3,4-dimethylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682865
N-ethyl-1-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine
CID 60889160
1-(3-fluoro-4-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682464
1-(4-chlorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 62643334
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine (CID 79003234) is 1-(4-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine is CCC(NCCc1cnn(C)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is RMDFIRGTMURUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-3-15(13-4-6-14(16)7-5-13)17-9-8-12-10-18-19(2)11-12/h4-7,10-11,15,17H,3,8-9H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine?
1-(4-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 277.80 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 79003234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).