4-methyl-1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-amine

C16H23N3 — CID 103010021

IUPAC4-methyl-1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-amine
SMILESCn1nccc1CCC(N)C(C)(C)c1ccccc1
InChIInChI=1S/C16H23N3/c1-16(2,13-7-5-4-6-8-13)15(17)10-9-14-11-12-18-19(14)3/h4-8,11-12,15H,9-10,17H2,1-3H3
InChIKeyZHOLVTVEURHRKA-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.66
Rot. Bonds5

About 4-methyl-1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-amine

4-methyl-1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-amine (PubChem CID 103010021) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-amine.

Molecular Properties

Compound Name4-methyl-1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-amine
PubChem CID103010021
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-methyl-1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-amine
SMILESCn1nccc1CCC(N)C(C)(C)c1ccccc1
InChIInChI=1S/C16H23N3/c1-16(2,13-7-5-4-6-8-13)15(17)10-9-14-11-12-18-19(14)3/h4-8,11-12,15H,9-10,17H2,1-3H3
InChIKeyZHOLVTVEURHRKA-UHFFFAOYSA-N
XLogP2.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-(2-methylpyrazol-3-yl)-4-phenylhexan-3-amine
CID 103010123
4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine
CID 103011097
4-N,4-N,4-trimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine
CID 103011051
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030498
1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-ol
CID 103006232
3-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)propan-1-ol
CID 103027965
5-(2-methylpyrazol-3-yl)pentan-2-amine
CID 103004310
2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-phenylpropan-1-ol
CID 103002275
5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
N,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 103014774

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-amine?
The IUPAC name of 4-methyl-1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-amine (CID 103010021) is 4-methyl-1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-amine.
What is the SMILES notation for 4-methyl-1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-amine?
The canonical SMILES for 4-methyl-1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-amine is Cn1nccc1CCC(N)C(C)(C)c1ccccc1.
What is the InChIKey of 4-methyl-1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-amine?
The InChIKey is ZHOLVTVEURHRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-16(2,13-7-5-4-6-8-13)15(17)10-9-14-11-12-18-19(14)3/h4-8,11-12,15H,9-10,17H2,1-3H3.
What are the key properties of 4-methyl-1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-amine?
4-methyl-1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-amine has a molecular weight of 257.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylpyrazol-3-yl)-4-phenylpentan-3-amine is sourced from PubChem (CID 103010021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).