N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine

C14H19N3 — CID 63011246

IUPACN-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCc1ccnn1C
InChIInChI=1S/C14H19N3/c1-12(10-13-6-4-3-5-7-13)15-11-14-8-9-16-17(14)2/h3-9,12,15H,10-11H2,1-2H3
InChIKeyRYZFUQAMGZCMTI-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.14
Rot. Bonds5

About N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine

N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine (PubChem CID 63011246) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine
PubChem CID63011246
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCc1ccnn1C
InChIInChI=1S/C14H19N3/c1-12(10-13-6-4-3-5-7-13)15-11-14-8-9-16-17(14)2/h3-9,12,15H,10-11H2,1-2H3
InChIKeyRYZFUQAMGZCMTI-UHFFFAOYSA-N
XLogP2.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115671266
1-[4-(2-methylpropyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43681733
1-(2-methylpyrazol-3-yl)-3-phenylpropan-2-amine
CID 114553831
N-[2-(2-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine
CID 104693843
2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
CID 61499577
N-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010388
2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 119291636
1-(2-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 60927610
1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130984
N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 106756794
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 91661830
N-benzyl-1-(1-methylpyrazol-4-yl)propan-2-amine
CID 122157851

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine (CID 63011246) is N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine is CC(Cc1ccccc1)NCc1ccnn1C.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine?
The InChIKey is RYZFUQAMGZCMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-12(10-13-6-4-3-5-7-13)15-11-14-8-9-16-17(14)2/h3-9,12,15H,10-11H2,1-2H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine?
N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine has a molecular weight of 229.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 63011246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).