N-(2,3-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline

C17H23N3 — CID 64762657

IUPACN-(2,3-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline
SMILESCC1CCCC(Nc2cccc(-c3ccn[nH]3)c2)C1C
InChIInChI=1S/C17H23N3/c1-12-5-3-8-16(13(12)2)19-15-7-4-6-14(11-15)17-9-10-18-20-17/h4,6-7,9-13,16,19H,3,5,8H2,1-2H3,(H,18,20)
InChIKeyRTLZFLRRZZTMNU-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.31
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline

N-(2,3-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline (PubChem CID 64762657) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline
PubChem CID64762657
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-(2,3-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline
SMILESCC1CCCC(Nc2cccc(-c3ccn[nH]3)c2)C1C
InChIInChI=1S/C17H23N3/c1-12-5-3-8-16(13(12)2)19-15-7-4-6-14(11-15)17-9-10-18-20-17/h4,6-7,9-13,16,19H,3,5,8H2,1-2H3,(H,18,20)
InChIKeyRTLZFLRRZZTMNU-UHFFFAOYSA-N
XLogP4.31
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline (CID 64762657) is N-(2,3-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline is CC1CCCC(Nc2cccc(-c3ccn[nH]3)c2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline?
The InChIKey is RTLZFLRRZZTMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-5-3-8-16(13(12)2)19-15-7-4-6-14(11-15)17-9-10-18-20-17/h4,6-7,9-13,16,19H,3,5,8H2,1-2H3,(H,18,20).
What are the key properties of N-(2,3-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline?
N-(2,3-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline has a molecular weight of 269.39 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 64762657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).