N,N-dimethyl-3-(3-methyl-2-pyrazol-1-ylphenyl)propan-1-amine

C15H21N3 — CID 170866716

IUPACN,N-dimethyl-3-(3-methyl-2-pyrazol-1-ylphenyl)propan-1-amine
SMILESCc1cccc(CCCN(C)C)c1-n1cccn1
InChIInChI=1S/C15H21N3/c1-13-7-4-8-14(9-5-11-17(2)3)15(13)18-12-6-10-16-18/h4,6-8,10,12H,5,9,11H2,1-3H3
InChIKeyXTFLJRPGTAKZTE-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.67
Rot. Bonds5

About N,N-dimethyl-3-(3-methyl-2-pyrazol-1-ylphenyl)propan-1-amine

N,N-dimethyl-3-(3-methyl-2-pyrazol-1-ylphenyl)propan-1-amine (PubChem CID 170866716) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-methyl-2-pyrazol-1-ylphenyl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-methyl-2-pyrazol-1-ylphenyl)propan-1-amine
PubChem CID170866716
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN,N-dimethyl-3-(3-methyl-2-pyrazol-1-ylphenyl)propan-1-amine
SMILESCc1cccc(CCCN(C)C)c1-n1cccn1
InChIInChI=1S/C15H21N3/c1-13-7-4-8-14(9-5-11-17(2)3)15(13)18-12-6-10-16-18/h4,6-8,10,12H,5,9,11H2,1-3H3
InChIKeyXTFLJRPGTAKZTE-UHFFFAOYSA-N
XLogP2.67
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-methyl-2-pyrazol-1-ylphenyl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(3-methyl-2-pyrazol-1-ylphenyl)propan-1-amine (CID 170866716) is N,N-dimethyl-3-(3-methyl-2-pyrazol-1-ylphenyl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(3-methyl-2-pyrazol-1-ylphenyl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(3-methyl-2-pyrazol-1-ylphenyl)propan-1-amine is Cc1cccc(CCCN(C)C)c1-n1cccn1.
What is the InChIKey of N,N-dimethyl-3-(3-methyl-2-pyrazol-1-ylphenyl)propan-1-amine?
The InChIKey is XTFLJRPGTAKZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-13-7-4-8-14(9-5-11-17(2)3)15(13)18-12-6-10-16-18/h4,6-8,10,12H,5,9,11H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(3-methyl-2-pyrazol-1-ylphenyl)propan-1-amine?
N,N-dimethyl-3-(3-methyl-2-pyrazol-1-ylphenyl)propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-methyl-2-pyrazol-1-ylphenyl)propan-1-amine is sourced from PubChem (CID 170866716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).