N-methyl-5-(2-methylpyrazol-3-yl)-2-phenylpentan-1-amine

C16H23N3 — CID 103019984

IUPACN-methyl-5-(2-methylpyrazol-3-yl)-2-phenylpentan-1-amine
SMILESCNCC(CCCc1ccnn1C)c1ccccc1
InChIInChI=1S/C16H23N3/c1-17-13-15(14-7-4-3-5-8-14)9-6-10-16-11-12-18-19(16)2/h3-5,7-8,11-12,15,17H,6,9-10,13H2,1-2H3
InChIKeyASEAZJRLUWRXIZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.75
Rot. Bonds7

About N-methyl-5-(2-methylpyrazol-3-yl)-2-phenylpentan-1-amine

N-methyl-5-(2-methylpyrazol-3-yl)-2-phenylpentan-1-amine (PubChem CID 103019984) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-methyl-5-(2-methylpyrazol-3-yl)-2-phenylpentan-1-amine.

Molecular Properties

Compound NameN-methyl-5-(2-methylpyrazol-3-yl)-2-phenylpentan-1-amine
PubChem CID103019984
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-methyl-5-(2-methylpyrazol-3-yl)-2-phenylpentan-1-amine
SMILESCNCC(CCCc1ccnn1C)c1ccccc1
InChIInChI=1S/C16H23N3/c1-17-13-15(14-7-4-3-5-8-14)9-6-10-16-11-12-18-19(16)2/h3-5,7-8,11-12,15,17H,6,9-10,13H2,1-2H3
InChIKeyASEAZJRLUWRXIZ-UHFFFAOYSA-N
XLogP2.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014738
3-(2-methylpyrazol-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81024676
N-methyl-2-phenyl-5-thiophen-2-ylpentan-1-amine
CID 81023830
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 113442203
N,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 103014774
N,2,2-trimethyl-6-(2-methylpyrazol-3-yl)hexan-3-amine
CID 103004349
5-(2-methylpyrazol-3-yl)pentan-2-amine
CID 103004310
N,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
CID 103014306
1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-ol
CID 103006232
2-(3-chlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014703
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylbutan-1-amine
CID 107876456
5-methoxy-N-methyl-2-phenylpentan-1-amine
CID 65430583

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2-methylpyrazol-3-yl)-2-phenylpentan-1-amine?
The IUPAC name of N-methyl-5-(2-methylpyrazol-3-yl)-2-phenylpentan-1-amine (CID 103019984) is N-methyl-5-(2-methylpyrazol-3-yl)-2-phenylpentan-1-amine.
What is the SMILES notation for N-methyl-5-(2-methylpyrazol-3-yl)-2-phenylpentan-1-amine?
The canonical SMILES for N-methyl-5-(2-methylpyrazol-3-yl)-2-phenylpentan-1-amine is CNCC(CCCc1ccnn1C)c1ccccc1.
What is the InChIKey of N-methyl-5-(2-methylpyrazol-3-yl)-2-phenylpentan-1-amine?
The InChIKey is ASEAZJRLUWRXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-17-13-15(14-7-4-3-5-8-14)9-6-10-16-11-12-18-19(16)2/h3-5,7-8,11-12,15,17H,6,9-10,13H2,1-2H3.
What are the key properties of N-methyl-5-(2-methylpyrazol-3-yl)-2-phenylpentan-1-amine?
N-methyl-5-(2-methylpyrazol-3-yl)-2-phenylpentan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2-methylpyrazol-3-yl)-2-phenylpentan-1-amine is sourced from PubChem (CID 103019984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).