N-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine

C16H23N3 — CID 62729600

IUPACN-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine
SMILESCNC(C)c1cnn(Cc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C16H23N3/c1-12(2)15-7-5-14(6-8-15)10-19-11-16(9-18-19)13(3)17-4/h5-9,11-13,17H,10H2,1-4H3
InChIKeyQCWHTXMLYITKJJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.34
Rot. Bonds5

About N-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine

N-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine (PubChem CID 62729600) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine
PubChem CID62729600
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine
SMILESCNC(C)c1cnn(Cc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C16H23N3/c1-12(2)15-7-5-14(6-8-15)10-19-11-16(9-18-19)13(3)17-4/h5-9,11-13,17H,10H2,1-4H3
InChIKeyQCWHTXMLYITKJJ-UHFFFAOYSA-N
XLogP3.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-propan-2-ylphenyl)methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 137333341
1-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylethanamine
CID 55108884
dimethyl-oxo-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]imino-λ6-sulfane
CID 167915093
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 22202043
N,N'-diamino-4-[(4-propan-2-ylpyrazol-1-yl)methyl]benzenecarboximidamide
CID 170756515
1-[1-[(3-bromo-2,6-difluorophenyl)methyl]pyrazol-4-yl]-N-methylethanamine
CID 106272036
1-[1-[(2-bromo-5-fluorophenyl)methyl]pyrazol-4-yl]-N-methylethanamine
CID 62731601
N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine
CID 103014944
1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 103041249
1-[(4-chlorophenyl)methyl]-4-(1-chloropropyl)pyrazole
CID 55109177
1-(1-benzylpyrazol-4-yl)-3-(4-propan-2-ylphenyl)thiourea
CID 17298835
2-fluoro-5-[(4-propan-2-ylpyrazol-1-yl)methyl]benzonitrile
CID 168900803

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine (CID 62729600) is N-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine is CNC(C)c1cnn(Cc2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine?
The InChIKey is QCWHTXMLYITKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(2)15-7-5-14(6-8-15)10-19-11-16(9-18-19)13(3)17-4/h5-9,11-13,17H,10H2,1-4H3.
What are the key properties of N-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine?
N-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine is sourced from PubChem (CID 62729600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).