2-methyl-N-[[3-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine

C16H23N3 — CID 63070580

IUPAC2-methyl-N-[[3-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine
SMILESCc1ccn(-c2ccc(CNCC(C)C)cc2C)n1
InChIInChI=1S/C16H23N3/c1-12(2)10-17-11-15-5-6-16(13(3)9-15)19-8-7-14(4)18-19/h5-9,12,17H,10-11H2,1-4H3
InChIKeyFABXHHHEOJYSQT-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.23
Rot. Bonds5

About 2-methyl-N-[[3-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine

2-methyl-N-[[3-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine (PubChem CID 63070580) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-methyl-N-[[3-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine
PubChem CID63070580
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-methyl-N-[[3-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine
SMILESCc1ccn(-c2ccc(CNCC(C)C)cc2C)n1
InChIInChI=1S/C16H23N3/c1-12(2)10-17-11-15-5-6-16(13(3)9-15)19-8-7-14(4)18-19/h5-9,12,17H,10-11H2,1-4H3
InChIKeyFABXHHHEOJYSQT-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3-cyclopropylpyrazol-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63072495
1-[2-methyl-4-[(2-methylpropylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 64780215
2-methyl-N-[[3-methyl-4-(2-methylimidazol-1-yl)phenyl]methyl]propan-1-amine
CID 55146656
N-[[4-(azepan-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63061231
N-[[4-methyl-3-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine
CID 105406297
N-[[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63059455
N-[(4-bromo-3-methylphenyl)methyl]-2-methylpropan-1-amine
CID 66472971
2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 81231609
N-[[5-chloro-2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927432
1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 64782497
N-[[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63071669
N-[[4-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63059703

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine (CID 63070580) is 2-methyl-N-[[3-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine is Cc1ccn(-c2ccc(CNCC(C)C)cc2C)n1.
What is the InChIKey of 2-methyl-N-[[3-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine?
The InChIKey is FABXHHHEOJYSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(2)10-17-11-15-5-6-16(13(3)9-15)19-8-7-14(4)18-19/h5-9,12,17H,10-11H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine?
2-methyl-N-[[3-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-methyl-4-(3-methylpyrazol-1-yl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63070580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).