(2S)-1-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine

C15H20ClN3 — CID 97251584

IUPAC(2S)-1-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
SMILESC[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1ccn(C)n1
InChIInChI=1S/C15H20ClN3/c1-12(10-13-4-6-14(16)7-5-13)18(2)11-15-8-9-19(3)17-15/h4-9,12H,10-11H2,1-3H3/t12-/m0/s1
InChIKeyHFEQMZWKVFOIJO-LBPRGKRZSA-N
MW277.80 g/mol
LogP3.14
Rot. Bonds5

About (2S)-1-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine

(2S)-1-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine (PubChem CID 97251584) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is (2S)-1-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
PubChem CID97251584
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name(2S)-1-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
SMILESC[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1ccn(C)n1
InChIInChI=1S/C15H20ClN3/c1-12(10-13-4-6-14(16)7-5-13)18(2)11-15-8-9-19(3)17-15/h4-9,12H,10-11H2,1-3H3/t12-/m0/s1
InChIKeyHFEQMZWKVFOIJO-LBPRGKRZSA-N
XLogP3.14
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine?
The IUPAC name of (2S)-1-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine (CID 97251584) is (2S)-1-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine?
The canonical SMILES for (2S)-1-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine is C[C@@H](Cc1ccc(Cl)cc1)N(C)Cc1ccn(C)n1.
What is the InChIKey of (2S)-1-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine?
The InChIKey is HFEQMZWKVFOIJO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-12(10-13-4-6-14(16)7-5-13)18(2)11-15-8-9-19(3)17-15/h4-9,12H,10-11H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-1-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine?
(2S)-1-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine has a molecular weight of 277.80 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 97251584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).