N-benzyl-1-(1-methylpyrazol-4-yl)propan-2-amine

C14H19N3 — CID 122157851

IUPACN-benzyl-1-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCC(Cc1cnn(C)c1)NCc1ccccc1
InChIInChI=1S/C14H19N3/c1-12(8-14-10-16-17(2)11-14)15-9-13-6-4-3-5-7-13/h3-7,10-12,15H,8-9H2,1-2H3
InChIKeyXIZSSIVOQBRSLF-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.14
Rot. Bonds5

About N-benzyl-1-(1-methylpyrazol-4-yl)propan-2-amine

N-benzyl-1-(1-methylpyrazol-4-yl)propan-2-amine (PubChem CID 122157851) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-benzyl-1-(1-methylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound NameN-benzyl-1-(1-methylpyrazol-4-yl)propan-2-amine
PubChem CID122157851
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-benzyl-1-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCC(Cc1cnn(C)c1)NCc1ccccc1
InChIInChI=1S/C14H19N3/c1-12(8-14-10-16-17(2)11-14)15-9-13-6-4-3-5-7-13/h3-7,10-12,15H,8-9H2,1-2H3
InChIKeyXIZSSIVOQBRSLF-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

4-[2-[(1-methylpyrazol-4-yl)methylamino]propyl]phenol
CID 78943311
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
1-chloro-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropan-2-amine
CID 65026211
1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
CID 61350604
N-[(1-methylpyrrol-3-yl)methyl]-1-phenylpropan-2-amine
CID 66398787
4-chloro-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 83187892
N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine
CID 62126117
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]butan-2-amine
CID 43085339
4-methoxy-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentan-2-amine
CID 61350220
N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine
CID 63011246
2-benzyl-4-(1-methylpyrazol-4-yl)-N-propan-2-ylbutan-1-amine
CID 103014294
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(1-methylpyrazol-4-yl)propan-2-amine?
The IUPAC name of N-benzyl-1-(1-methylpyrazol-4-yl)propan-2-amine (CID 122157851) is N-benzyl-1-(1-methylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for N-benzyl-1-(1-methylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for N-benzyl-1-(1-methylpyrazol-4-yl)propan-2-amine is CC(Cc1cnn(C)c1)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-(1-methylpyrazol-4-yl)propan-2-amine?
The InChIKey is XIZSSIVOQBRSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-12(8-14-10-16-17(2)11-14)15-9-13-6-4-3-5-7-13/h3-7,10-12,15H,8-9H2,1-2H3.
What are the key properties of N-benzyl-1-(1-methylpyrazol-4-yl)propan-2-amine?
N-benzyl-1-(1-methylpyrazol-4-yl)propan-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-benzyl-1-(1-methylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 122157851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).