3-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propan-1-amine

C15H20ClN3 — CID 28634718

IUPAC3-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propan-1-amine
SMILESCc1cc(CN(C)CCCc2ccccc2Cl)n[nH]1
InChIInChI=1S/C15H20ClN3/c1-12-10-14(18-17-12)11-19(2)9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,10H,5,7,9,11H2,1-2H3,(H,17,18)
InChIKeyLCBDQOWNCKQYAJ-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.44
Rot. Bonds6

About 3-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propan-1-amine

3-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propan-1-amine (PubChem CID 28634718) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propan-1-amine
PubChem CID28634718
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name3-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propan-1-amine
SMILESCc1cc(CN(C)CCCc2ccccc2Cl)n[nH]1
InChIInChI=1S/C15H20ClN3/c1-12-10-14(18-17-12)11-19(2)9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,10H,5,7,9,11H2,1-2H3,(H,17,18)
InChIKeyLCBDQOWNCKQYAJ-UHFFFAOYSA-N
XLogP3.44
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 59240215
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CID 82469557
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CID 71304139
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5-[(2-chlorophenyl)methyl-methylamino]pentanenitrile
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propan-1-amine (CID 28634718) is 3-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propan-1-amine is Cc1cc(CN(C)CCCc2ccccc2Cl)n[nH]1.
What is the InChIKey of 3-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is LCBDQOWNCKQYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-12-10-14(18-17-12)11-19(2)9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,10H,5,7,9,11H2,1-2H3,(H,17,18).
What are the key properties of 3-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propan-1-amine?
3-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 277.80 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 28634718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).