N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline

C16H13Cl2N3 — CID 43745380

IUPACN-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
SMILESClc1cccc(Cl)c1CNc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C16H13Cl2N3/c17-14-5-2-6-15(18)13(14)10-19-12-4-1-3-11(9-12)16-7-8-20-21-16/h1-9,19H,10H2,(H,20,21)
InChIKeyDFTYGDOTXNGKKT-UHFFFAOYSA-N
MW318.21 g/mol
LogP5.00
Rot. Bonds4

About N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline

N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline (PubChem CID 43745380) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
PubChem CID43745380
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
SMILESClc1cccc(Cl)c1CNc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C16H13Cl2N3/c17-14-5-2-6-15(18)13(14)10-19-12-4-1-3-11(9-12)16-7-8-20-21-16/h1-9,19H,10H2,(H,20,21)
InChIKeyDFTYGDOTXNGKKT-UHFFFAOYSA-N
XLogP5.00
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-2-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 115750287
2-chloro-6-[[3-(1H-pyrazol-5-yl)anilino]methyl]phenol
CID 115903776
N-[(2-bromophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745385
N-[(4-bromo-2-fluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745387
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
CID 43745359
N-[(2,5-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745314
N-[(5-iodofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43790937
N-[(4-methylsulfanylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745309
N-[(5-ethylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 62346092
N-pentyl-3-(1H-pyrazol-5-yl)aniline
CID 43745298
N-[(2-methylpyrimidin-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 62747530
N-[(5-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 81313287

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline (CID 43745380) is N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline is Clc1cccc(Cl)c1CNc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The InChIKey is DFTYGDOTXNGKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c17-14-5-2-6-15(18)13(14)10-19-12-4-1-3-11(9-12)16-7-8-20-21-16/h1-9,19H,10H2,(H,20,21).
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline?
N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline has a molecular weight of 318.21 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 43745380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).