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

C14H18ClN3 — CID 99824209

IUPAC(2R)-2-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESC[C@@H](CNCc1ccnn1C)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClN3/c1-11(12-4-3-5-13(15)8-12)9-16-10-14-6-7-17-18(14)2/h3-8,11,16H,9-10H2,1-2H3/t11-/m0/s1
InChIKeyUEPZYVRLORSTPS-NSHDSACASA-N
MW263.77 g/mol
LogP2.97
Rot. Bonds5

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

(2R)-2-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 99824209) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID99824209
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name(2R)-2-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESC[C@@H](CNCc1ccnn1C)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClN3/c1-11(12-4-3-5-13(15)8-12)9-16-10-14-6-7-17-18(14)2/h3-8,11,16H,9-10H2,1-2H3/t11-/m0/s1
InChIKeyUEPZYVRLORSTPS-NSHDSACASA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43674084
N-[(2-methylpyrazol-3-yl)methyl]-2-thiophen-3-ylpropan-1-amine
CID 115671324
2-(3-chlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014703
N-[2-(3-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 66436956
1-[2-(3-chlorophenyl)-2-methoxyethyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111691066
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663310
(2S)-2-(3-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propan-1-amine
CID 99857191
N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 115693281
1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43673323
1-(3-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106757101
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625004
methyl 3-[(2-methylpyrazol-3-yl)methylamino]-2-phenylpropanoate
CID 64560965

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of (2R)-2-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine (CID 99824209) is (2R)-2-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for (2R)-2-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for (2R)-2-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine is C[C@@H](CNCc1ccnn1C)c1cccc(Cl)c1.
What is the InChIKey of (2R)-2-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is UEPZYVRLORSTPS-NSHDSACASA-N. The full InChI is InChI=1S/C14H18ClN3/c1-11(12-4-3-5-13(15)8-12)9-16-10-14-6-7-17-18(14)2/h3-8,11,16H,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (2R)-2-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine?
(2R)-2-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 263.77 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 99824209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).