N-[1-(1-methylpyrazol-3-yl)ethyl]-2,6-di(propan-2-yl)aniline

C18H27N3 — CID 146337355

IUPACN-[1-(1-methylpyrazol-3-yl)ethyl]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NC(C)c1ccn(C)n1
InChIInChI=1S/C18H27N3/c1-12(2)15-8-7-9-16(13(3)4)18(15)19-14(5)17-10-11-21(6)20-17/h7-14,19H,1-6H3
InChIKeyCHJCSPWJHGVCJM-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.84
Rot. Bonds5

About N-[1-(1-methylpyrazol-3-yl)ethyl]-2,6-di(propan-2-yl)aniline

N-[1-(1-methylpyrazol-3-yl)ethyl]-2,6-di(propan-2-yl)aniline (PubChem CID 146337355) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-3-yl)ethyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-3-yl)ethyl]-2,6-di(propan-2-yl)aniline
PubChem CID146337355
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[1-(1-methylpyrazol-3-yl)ethyl]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cccc(C(C)C)c1NC(C)c1ccn(C)n1
InChIInChI=1S/C18H27N3/c1-12(2)15-8-7-9-16(13(3)4)18(15)19-14(5)17-10-11-21(6)20-17/h7-14,19H,1-6H3
InChIKeyCHJCSPWJHGVCJM-UHFFFAOYSA-N
XLogP4.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[1-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine
CID 126794017
N-[1-[5-[1-[2,6-di(propan-2-yl)anilino]ethyl]furan-2-yl]ethyl]-2,6-di(propan-2-yl)aniline
CID 130177836
5-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]pyridine-2-carbonitrile
CID 164632004
2-methyl-6-propan-2-yl-N-(1-pyridin-2-ylethyl)aniline
CID 139459217
tert-butyl N-[1-(1-methylpyrazol-3-yl)ethyl]carbamate
CID 130470626
[(2-chloro-3-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103141046
(3-bromo-2-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 103135482
1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride
CID 130453998
N-[(1S)-1-(2,6-difluorophenyl)ethyl]-1-methylpyrazol-3-amine
CID 93329707
[(2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 105228669
(2,3-difluorophenyl)-(1-methylpyrazol-3-yl)methanol
CID 65195591
1-(2-chlorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 65200322

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-3-yl)ethyl]-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-[1-(1-methylpyrazol-3-yl)ethyl]-2,6-di(propan-2-yl)aniline (CID 146337355) is N-[1-(1-methylpyrazol-3-yl)ethyl]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-[1-(1-methylpyrazol-3-yl)ethyl]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-[1-(1-methylpyrazol-3-yl)ethyl]-2,6-di(propan-2-yl)aniline is CC(C)c1cccc(C(C)C)c1NC(C)c1ccn(C)n1.
What is the InChIKey of N-[1-(1-methylpyrazol-3-yl)ethyl]-2,6-di(propan-2-yl)aniline?
The InChIKey is CHJCSPWJHGVCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-12(2)15-8-7-9-16(13(3)4)18(15)19-14(5)17-10-11-21(6)20-17/h7-14,19H,1-6H3.
What are the key properties of N-[1-(1-methylpyrazol-3-yl)ethyl]-2,6-di(propan-2-yl)aniline?
N-[1-(1-methylpyrazol-3-yl)ethyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 285.44 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-3-yl)ethyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 146337355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).