5-chloro-2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline

C12H14ClN3 — CID 60971531

IUPAC5-chloro-2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
SMILESCc1ccc(Cl)cc1NC(C)c1ccn[nH]1
InChIInChI=1S/C12H14ClN3/c1-8-3-4-10(13)7-12(8)15-9(2)11-5-6-14-16-11/h3-7,9,15H,1-2H3,(H,14,16)
InChIKeyVKUCSXZFETVYRF-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.54
Rot. Bonds3

About 5-chloro-2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline

5-chloro-2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline (PubChem CID 60971531) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 5-chloro-2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name5-chloro-2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
PubChem CID60971531
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name5-chloro-2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
SMILESCc1ccc(Cl)cc1NC(C)c1ccn[nH]1
InChIInChI=1S/C12H14ClN3/c1-8-3-4-10(13)7-12(8)15-9(2)11-5-6-14-16-11/h3-7,9,15H,1-2H3,(H,14,16)
InChIKeyVKUCSXZFETVYRF-UHFFFAOYSA-N
XLogP3.54
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60973136
2,5-difluoro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60972171
2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]-5-(tetrazol-1-yl)aniline
CID 60972786
3-iodo-4-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 60972545
1-(2,4-dichlorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 54881392
5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43102806
2-chloro-5-nitro-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 54881749
3-fluoro-4-methyl-5-[1-(1H-pyrazol-5-yl)ethylamino]benzonitrile
CID 54881919
5-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43109746
2-[1-(5-chloro-2-methylanilino)ethyl]phenol
CID 43189458
5-bromo-2-methoxy-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 54968251
3-fluoro-5-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline
CID 79055182

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
The IUPAC name of 5-chloro-2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline (CID 60971531) is 5-chloro-2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline.
What is the SMILES notation for 5-chloro-2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
The canonical SMILES for 5-chloro-2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline is Cc1ccc(Cl)cc1NC(C)c1ccn[nH]1.
What is the InChIKey of 5-chloro-2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
The InChIKey is VKUCSXZFETVYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8-3-4-10(13)7-12(8)15-9(2)11-5-6-14-16-11/h3-7,9,15H,1-2H3,(H,14,16).
What are the key properties of 5-chloro-2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline?
5-chloro-2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline has a molecular weight of 235.72 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-N-[1-(1H-pyrazol-5-yl)ethyl]aniline is sourced from PubChem (CID 60971531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).