N-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine

C17H25N3 — CID 103030182

IUPACN-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine
SMILESCNC(CCc1ccc(C)cc1)CCc1cnn(C)c1
InChIInChI=1S/C17H25N3/c1-14-4-6-15(7-5-14)8-10-17(18-2)11-9-16-12-19-20(3)13-16/h4-7,12-13,17-18H,8-11H2,1-3H3
InChIKeyXHUYARNRMJKTFE-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.88
Rot. Bonds7

About N-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine

N-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine (PubChem CID 103030182) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine
PubChem CID103030182
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine
SMILESCNC(CCc1ccc(C)cc1)CCc1cnn(C)c1
InChIInChI=1S/C17H25N3/c1-14-4-6-15(7-5-14)8-10-17(18-2)11-9-16-12-19-20(3)13-16/h4-7,12-13,17-18H,8-11H2,1-3H3
InChIKeyXHUYARNRMJKTFE-UHFFFAOYSA-N
XLogP2.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103009586
N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine
CID 62126117
6-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
CID 103010409
N-methyl-1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-amine
CID 103029700
N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine
CID 103009789
N-ethyl-1-(4-methylphenyl)sulfanyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103010863
1-(3-bromophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103009371
1-(2,4-difluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103010345
[1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-yl]hydrazine
CID 103025657
N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine
CID 103010532
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine?
The IUPAC name of N-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine (CID 103030182) is N-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine is CNC(CCc1ccc(C)cc1)CCc1cnn(C)c1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine?
The InChIKey is XHUYARNRMJKTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-14-4-6-15(7-5-14)8-10-17(18-2)11-9-16-12-19-20(3)13-16/h4-7,12-13,17-18H,8-11H2,1-3H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine?
N-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine has a molecular weight of 271.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine is sourced from PubChem (CID 103030182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).