1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine

C17H24ClN3 — CID 82700096

IUPAC1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine
SMILESCCc1nn(Cc2ccc(Cl)cc2)c(CC)c1CC(C)N
InChIInChI=1S/C17H24ClN3/c1-4-16-15(10-12(3)19)17(5-2)21(20-16)11-13-6-8-14(18)9-7-13/h6-9,12H,4-5,10-11,19H2,1-3H3
InChIKeyFJMDFPILVVNSPT-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.60
Rot. Bonds6

About 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine

1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine (PubChem CID 82700096) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine
PubChem CID82700096
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine
SMILESCCc1nn(Cc2ccc(Cl)cc2)c(CC)c1CC(C)N
InChIInChI=1S/C17H24ClN3/c1-4-16-15(10-12(3)19)17(5-2)21(20-16)11-13-6-8-14(18)9-7-13/h6-9,12H,4-5,10-11,19H2,1-3H3
InChIKeyFJMDFPILVVNSPT-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Chlorophenyl)-1-Methyl-1H-Pyrazol-5-Amine
CID 2735304
3-(4-Chloro-phenyl)-2-isopropyl-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 11460460
1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole
CID 661809
1-benzyl-3,5-dimethyl-4-[(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)methyl]-1H-pyrazole
CID 5303281
JNJ-18038683 free base
CID 11151899
(1S,3R)-N-((4-chloro-5-(3,5-difluorophenyl)-1-methyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45267505
3-(3,4-Dichloro-phenyl)-2-isopropyl-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 59752584
3-(2,4-Dichloro-phenyl)-2-isopropyl-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 59752589
1-(4-Chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine
CID 580838
N-[2-(4-chlorophenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 5123202
2-(4-chlorophenyl)-N'-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]acetohydrazide
CID 6875136
1h-Pyrazolo[4,3-c]pyridine,3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1-methyl-,hydrochloride
CID 45265722

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine (CID 82700096) is 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine is CCc1nn(Cc2ccc(Cl)cc2)c(CC)c1CC(C)N.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine?
The InChIKey is FJMDFPILVVNSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-4-16-15(10-12(3)19)17(5-2)21(20-16)11-13-6-8-14(18)9-7-13/h6-9,12H,4-5,10-11,19H2,1-3H3.
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine?
1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine has a molecular weight of 305.85 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 82700096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).