4-propan-2-yl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline

C16H23N3 — CID 64773415

IUPAC4-propan-2-yl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
SMILESCC(C)c1ccc(NCc2ccn(C(C)C)n2)cc1
InChIInChI=1S/C16H23N3/c1-12(2)14-5-7-15(8-6-14)17-11-16-9-10-19(18-16)13(3)4/h5-10,12-13,17H,11H2,1-4H3
InChIKeyBURWTOMYYKDOHV-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.20
Rot. Bonds5

About 4-propan-2-yl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline

4-propan-2-yl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline (PubChem CID 64773415) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-propan-2-yl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-propan-2-yl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
PubChem CID64773415
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-propan-2-yl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
SMILESCC(C)c1ccc(NCc2ccn(C(C)C)n2)cc1
InChIInChI=1S/C16H23N3/c1-12(2)14-5-7-15(8-6-14)17-11-16-9-10-19(18-16)13(3)4/h5-10,12-13,17H,11H2,1-4H3
InChIKeyBURWTOMYYKDOHV-UHFFFAOYSA-N
XLogP4.20
TPSA29.85 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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-propan-2-yl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-3-chloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 103823368
3-bromo-4-iodo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 113242506
2,6-dichloro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 65469409
4-fluoro-3-methoxy-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 114839543
2-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64770909
1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 114252049
3-(chloromethyl)-4-ethoxy-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 65025092
N-[(6-bromo-2-pyridinyl)methyl]-4-propan-2-ylaniline
CID 112581739
2,3-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64773599
4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
CID 82882084
2,2-dimethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
CID 103699639
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-chloro-4-methylaniline
CID 64801192

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 4-propan-2-yl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline (CID 64773415) is 4-propan-2-yl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 4-propan-2-yl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 4-propan-2-yl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline is CC(C)c1ccc(NCc2ccn(C(C)C)n2)cc1.
What is the InChIKey of 4-propan-2-yl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline?
The InChIKey is BURWTOMYYKDOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(2)14-5-7-15(8-6-14)17-11-16-9-10-19(18-16)13(3)4/h5-10,12-13,17H,11H2,1-4H3.
What are the key properties of 4-propan-2-yl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline?
4-propan-2-yl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline has a molecular weight of 257.38 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 64773415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).