N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine

C15H21N3 — CID 62126117

IUPACN-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine
SMILESCNC(CCc1ccccc1)Cc1cnn(C)c1
InChIInChI=1S/C15H21N3/c1-16-15(10-14-11-17-18(2)12-14)9-8-13-6-4-3-5-7-13/h3-7,11-12,15-16H,8-10H2,1-2H3
InChIKeyMJOXMWIMTRFKOS-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.18
Rot. Bonds6

About N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine

N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine (PubChem CID 62126117) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine
PubChem CID62126117
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine
SMILESCNC(CCc1ccccc1)Cc1cnn(C)c1
InChIInChI=1S/C15H21N3/c1-16-15(10-14-11-17-18(2)12-14)9-8-13-6-4-3-5-7-13/h3-7,11-12,15-16H,8-10H2,1-2H3
InChIKeyMJOXMWIMTRFKOS-UHFFFAOYSA-N
XLogP2.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine
CID 103009789
1-(3-bromophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103009371
N-methyl-1,4-diphenylbutan-2-amine
CID 57128066
N-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine
CID 103030182
2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014288
N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103009586
N-methyl-1,5-diphenylpentan-3-amine
CID 10586995
N-ethyl-4-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)butan-2-amine
CID 105114186
1-(2,4-difluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103010345
1-(2-ethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115822011
N-methyl-1-(1-methylpyrazol-4-yl)pent-4-en-2-amine
CID 116660539
N-ethyl-4-(1-methylpyrazol-4-yl)-1-phenoxybutan-2-amine
CID 103009843

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine (CID 62126117) is N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine is CNC(CCc1ccccc1)Cc1cnn(C)c1.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine?
The InChIKey is MJOXMWIMTRFKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-16-15(10-14-11-17-18(2)12-14)9-8-13-6-4-3-5-7-13/h3-7,11-12,15-16H,8-10H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine?
N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine is sourced from PubChem (CID 62126117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).