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

C14H19N3 — CID 114029100

IUPACN-methyl-1-(2-methylpyrazol-3-yl)-2-phenylpropan-1-amine
SMILESCNC(c1ccnn1C)C(C)c1ccccc1
InChIInChI=1S/C14H19N3/c1-11(12-7-5-4-6-8-12)14(15-2)13-9-10-16-17(13)3/h4-11,14-15H,1-3H3
InChIKeyUTAJQLQSGCTTBL-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.48
Rot. Bonds4

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

N-methyl-1-(2-methylpyrazol-3-yl)-2-phenylpropan-1-amine (PubChem CID 114029100) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-methyl-1-(2-methylpyrazol-3-yl)-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpyrazol-3-yl)-2-phenylpropan-1-amine
PubChem CID114029100
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-methyl-1-(2-methylpyrazol-3-yl)-2-phenylpropan-1-amine
SMILESCNC(c1ccnn1C)C(C)c1ccccc1
InChIInChI=1S/C14H19N3/c1-11(12-7-5-4-6-8-12)14(15-2)13-9-10-16-17(13)3/h4-11,14-15H,1-3H3
InChIKeyUTAJQLQSGCTTBL-UHFFFAOYSA-N
XLogP2.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-phenyl-2-pyridin-4-ylpropan-1-amine
CID 66446573
N,2-dimethyl-1-(2-phenylpyrazol-3-yl)propan-1-amine
CID 107330520
2-methoxy-N,3,3-trimethyl-1-(2-methylpyrazol-3-yl)butan-1-amine
CID 116724449
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenylbutan-1-amine
CID 106757786
2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 66141148
N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63962680
N,2-dimethyl-3-(2-methyl-1,2,4-triazol-3-yl)-1-phenylpropan-1-amine
CID 104845311
N-methyl-2-[(S)-(2-methylpyrazol-3-yl)-phenylmethoxy]ethanamine;hydrochloride
CID 69346238
N,N-dimethyl-3-[methylamino-(2-methylpyrazol-3-yl)methyl]aniline
CID 105148624
(1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine
CID 106757978
N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 106756794
N-methyl-1-(2-methylpyrazol-3-yl)prop-2-en-1-amine
CID 105161334

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpyrazol-3-yl)-2-phenylpropan-1-amine?
The IUPAC name of N-methyl-1-(2-methylpyrazol-3-yl)-2-phenylpropan-1-amine (CID 114029100) is N-methyl-1-(2-methylpyrazol-3-yl)-2-phenylpropan-1-amine.
What is the SMILES notation for N-methyl-1-(2-methylpyrazol-3-yl)-2-phenylpropan-1-amine?
The canonical SMILES for N-methyl-1-(2-methylpyrazol-3-yl)-2-phenylpropan-1-amine is CNC(c1ccnn1C)C(C)c1ccccc1.
What is the InChIKey of N-methyl-1-(2-methylpyrazol-3-yl)-2-phenylpropan-1-amine?
The InChIKey is UTAJQLQSGCTTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11(12-7-5-4-6-8-12)14(15-2)13-9-10-16-17(13)3/h4-11,14-15H,1-3H3.
What are the key properties of N-methyl-1-(2-methylpyrazol-3-yl)-2-phenylpropan-1-amine?
N-methyl-1-(2-methylpyrazol-3-yl)-2-phenylpropan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpyrazol-3-yl)-2-phenylpropan-1-amine is sourced from PubChem (CID 114029100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).