N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine

C13H17N3 — CID 61033157

IUPACN-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine
SMILESCNC(C)c1ccc(-c2cnn(C)c2)cc1
InChIInChI=1S/C13H17N3/c1-10(14-2)11-4-6-12(7-5-11)13-8-15-16(3)9-13/h4-10,14H,1-3H3
InChIKeyYYPPEDBFQMJCLP-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.37
Rot. Bonds3

About N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine

N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine (PubChem CID 61033157) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine
PubChem CID61033157
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine
SMILESCNC(C)c1ccc(-c2cnn(C)c2)cc1
InChIInChI=1S/C13H17N3/c1-10(14-2)11-4-6-12(7-5-11)13-8-15-16(3)9-13/h4-10,14H,1-3H3
InChIKeyYYPPEDBFQMJCLP-UHFFFAOYSA-N
XLogP2.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]propan-1-amine
CID 54980019
N-methyl-1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethanamine
CID 82540595
1-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrazole
CID 125436875
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033287
4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323
1-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 71983829
1-[4-(furan-3-yl)phenyl]-N-methylethanamine
CID 63949145
4-(2-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole
CID 121383038
N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine
CID 103014944
N-methyl-1-[2-(1-methylpyrazol-4-yl)sulfanylphenyl]ethanamine
CID 61385294
4-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol
CID 43534964

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine (CID 61033157) is N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine is CNC(C)c1ccc(-c2cnn(C)c2)cc1.
What is the InChIKey of N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine?
The InChIKey is YYPPEDBFQMJCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10(14-2)11-4-6-12(7-5-11)13-8-15-16(3)9-13/h4-10,14H,1-3H3.
What are the key properties of N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine?
N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine is sourced from PubChem (CID 61033157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).