1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine

C14H18ClN3 — CID 43674084

IUPAC1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCC(NCc1ccnn1C)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClN3/c1-3-14(11-5-4-6-12(15)9-11)16-10-13-7-8-17-18(13)2/h4-9,14,16H,3,10H2,1-2H3
InChIKeyHWMJGHCTMWARRC-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.31
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine

1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 43674084) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID43674084
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCC(NCc1ccnn1C)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClN3/c1-3-14(11-5-4-6-12(15)9-11)16-10-13-7-8-17-18(13)2/h4-9,14,16H,3,10H2,1-2H3
InChIKeyHWMJGHCTMWARRC-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43714916
(2R)-2-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 99824209
1-(3-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757101
1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
CID 112696022
N-[(4-bromothiophen-2-yl)methyl]-1-(3-chlorophenyl)propan-1-amine
CID 43674094
1-(3-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 102831822
[4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol
CID 103947369
1-(3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 103717175
2-(3-chlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014703
1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43673323
1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 43674087
N-[1-(3-chlorophenyl)propyl]but-2-yn-1-amine
CID 115896884

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine (CID 43674084) is 1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine is CCC(NCc1ccnn1C)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is HWMJGHCTMWARRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-3-14(11-5-4-6-12(15)9-11)16-10-13-7-8-17-18(13)2/h4-9,14,16H,3,10H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine?
1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 263.77 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 43674084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).