N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine

C12H15N3 — CID 16640542

IUPACN-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine
SMILESCNC(C)c1cccc(-n2cccn2)c1
InChIInChI=1S/C12H15N3/c1-10(13-2)11-5-3-6-12(9-11)15-8-4-7-14-15/h3-10,13H,1-2H3
InChIKeyKVCCGJOEOPXYGU-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.15
Rot. Bonds3

About N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine

N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine (PubChem CID 16640542) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine
PubChem CID16640542
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine
SMILESCNC(C)c1cccc(-n2cccn2)c1
InChIInChI=1S/C12H15N3/c1-10(13-2)11-5-3-6-12(9-11)15-8-4-7-14-15/h3-10,13H,1-2H3
InChIKeyKVCCGJOEOPXYGU-UHFFFAOYSA-N
XLogP2.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 79170432
N-[1-(3-pyrazol-1-ylphenyl)ethyl]acetamide
CID 175743985
3-fluoro-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propan-1-amine
CID 99776687
N-[1-(3-pyrazol-1-ylphenyl)ethyl]propane-1-sulfonamide
CID 71985562
3-amino-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501001
(2R)-2-methylsulfanyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95933671
N-[1-(3-bromophenyl)ethyl]-3-pyrazol-1-ylaniline
CID 43740009
2,4-dimethyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]benzamide
CID 166217035
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 75442926
3-cyano-N-[1-(3-pyrazol-1-ylphenyl)ethyl]propane-1-sulfonamide
CID 71985561
cis-(1R,2S)-2-[[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119060
1-methyl-5-[[1-(3-pyrazol-1-ylphenyl)ethylamino]methyl]pyridin-2-one
CID 166364494

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine?
The IUPAC name of N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine (CID 16640542) is N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine.
What is the SMILES notation for N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine?
The canonical SMILES for N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine is CNC(C)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine?
The InChIKey is KVCCGJOEOPXYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10(13-2)11-5-3-6-12(9-11)15-8-4-7-14-15/h3-10,13H,1-2H3.
What are the key properties of N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine?
N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine has a molecular weight of 201.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-pyrazol-1-ylphenyl)ethanamine is sourced from PubChem (CID 16640542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).