N-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine

C14H18ClN3 — CID 43497323

IUPACN-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)c1cnn(C)c1
InChIInChI=1S/C14H18ClN3/c1-3-7-16-14(12-9-17-18(2)10-12)11-5-4-6-13(15)8-11/h4-6,8-10,14,16H,3,7H2,1-2H3
InChIKeyBYGDAZHGPQWYKL-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.16
Rot. Bonds5

About N-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine

N-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 43497323) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID43497323
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC NameN-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)c1cnn(C)c1
InChIInChI=1S/C14H18ClN3/c1-3-7-16-14(12-9-17-18(2)10-12)11-5-4-6-13(15)8-11/h4-6,8-10,14,16H,3,7H2,1-2H3
InChIKeyBYGDAZHGPQWYKL-UHFFFAOYSA-N
XLogP3.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497241
N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625480
N-[(7-chloro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 114729059
N-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492483
N-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 115812106
N-[(3-chlorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43495020
N-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497258
N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497333
N-[(7-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 114729058
N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492453
N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497693
N-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 79705264

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine (CID 43497323) is N-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine is CCCNC(c1cccc(Cl)c1)c1cnn(C)c1.
What is the InChIKey of N-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is BYGDAZHGPQWYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-3-7-16-14(12-9-17-18(2)10-12)11-5-4-6-13(15)8-11/h4-6,8-10,14,16H,3,7H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
N-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 263.77 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 43497323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).