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

C15H20ClN3 — CID 79225299

IUPAC3-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine
SMILESCc1nn(Cc2cccc(Cl)c2)c(C)c1CCCN
InChIInChI=1S/C15H20ClN3/c1-11-15(7-4-8-17)12(2)19(18-11)10-13-5-3-6-14(16)9-13/h3,5-6,9H,4,7-8,10,17H2,1-2H3
InChIKeyYQWFNCHGZSMOEE-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.09
Rot. Bonds5

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

3-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine (PubChem CID 79225299) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 3-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine
PubChem CID79225299
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name3-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine
SMILESCc1nn(Cc2cccc(Cl)c2)c(C)c1CCCN
InChIInChI=1S/C15H20ClN3/c1-11-15(7-4-8-17)12(2)19(18-11)10-13-5-3-6-14(16)9-13/h3,5-6,9H,4,7-8,10,17H2,1-2H3
InChIKeyYQWFNCHGZSMOEE-UHFFFAOYSA-N
XLogP3.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazole
CID 62128432
N-[[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 43648043
3-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-ethylpropan-1-amine
CID 79224763
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139
1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine
CID 79542116
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19525315
5-chloro-1-[(3-chlorophenyl)methyl]-3-methylpyrazole-4-carbaldehyde
CID 63278998
2-[1-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 95475709
1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole
CID 115624826
1-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(2,5-dichlorophenyl)thiourea
CID 19344582
2-chloro-4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 62470807
3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 63278969

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine (CID 79225299) is 3-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine is Cc1nn(Cc2cccc(Cl)c2)c(C)c1CCCN.
What is the InChIKey of 3-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine?
The InChIKey is YQWFNCHGZSMOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-11-15(7-4-8-17)12(2)19(18-11)10-13-5-3-6-14(16)9-13/h3,5-6,9H,4,7-8,10,17H2,1-2H3.
What are the key properties of 3-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine?
3-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine has a molecular weight of 277.80 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 79225299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).