N-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-ylaniline

C15H21N3 — CID 103000802

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-ylaniline
SMILESCC(C)c1cccc(NCCc2cnn(C)c2)c1
InChIInChI=1S/C15H21N3/c1-12(2)14-5-4-6-15(9-14)16-8-7-13-10-17-18(3)11-13/h4-6,9-12,16H,7-8H2,1-3H3
InChIKeyCNPLFVLBGKZPIP-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.20
Rot. Bonds5

About N-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-ylaniline

N-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-ylaniline (PubChem CID 103000802) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-ylaniline.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-ylaniline
PubChem CID103000802
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-ylaniline
SMILESCC(C)c1cccc(NCCc2cnn(C)c2)c1
InChIInChI=1S/C15H21N3/c1-12(2)14-5-4-6-15(9-14)16-8-7-13-10-17-18(3)11-13/h4-6,9-12,16H,7-8H2,1-3H3
InChIKeyCNPLFVLBGKZPIP-UHFFFAOYSA-N
XLogP3.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine
CID 80681228
3-(chloromethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 103015173
N-[[3-(difluoromethyl)phenyl]methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 115526640
3-bromo-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 103688607
3-bromo-4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]aniline
CID 103747961
(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001791
4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carbonitrile
CID 80681842
3-propan-2-yl-N-(2-pyridin-2-ylethyl)aniline
CID 60719749
1-(3,4-dimethylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682865
N-[(1-methyltriazol-4-yl)methyl]-3-propan-2-ylaniline
CID 62756845
1-(3-fluoro-4-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682464
6-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 78955267

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-ylaniline?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-ylaniline (CID 103000802) is N-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-ylaniline.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-ylaniline?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-ylaniline is CC(C)c1cccc(NCCc2cnn(C)c2)c1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-ylaniline?
The InChIKey is CNPLFVLBGKZPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12(2)14-5-4-6-15(9-14)16-8-7-13-10-17-18(3)11-13/h4-6,9-12,16H,7-8H2,1-3H3.
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-ylaniline?
N-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-ylaniline has a molecular weight of 243.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-ylaniline is sourced from PubChem (CID 103000802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).