1-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-N,4-N-dimethylbenzene-1,4-diamine

C18H19ClN4 — CID 110452758

IUPAC1-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCc1cc(Nc2ccc(N(C)C)cc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H19ClN4/c1-13-11-18(20-15-7-9-16(10-8-15)22(2)3)23(21-13)17-6-4-5-14(19)12-17/h4-12,20H,1-3H3
InChIKeyYHKVHMGBFMIJGZ-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.64
Rot. Bonds4

About 1-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 110452758) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is 1-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID110452758
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC Name1-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCc1cc(Nc2ccc(N(C)C)cc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H19ClN4/c1-13-11-18(20-15-7-9-16(10-8-15)22(2)3)23(21-13)17-6-4-5-14(19)12-17/h4-12,20H,1-3H3
InChIKeyYHKVHMGBFMIJGZ-UHFFFAOYSA-N
XLogP4.64
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-amine
CID 110452762
2-(3-chlorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-5-methylpyrazol-3-amine
CID 12763826
4-N-(3-chlorophenyl)-6-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4,6-diamine
CID 112877996
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110459429
5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 55378047
4-N-(3-chlorophenyl)-2-N-[4-(dimethylamino)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112929719
2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 75355715
2-(3-chlorophenyl)-5-methylpyrazole-3-carbonitrile
CID 71241581
2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110452122
2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide
CID 55377836

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 110452758) is 1-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is Cc1cc(Nc2ccc(N(C)C)cc2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is YHKVHMGBFMIJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4/c1-13-11-18(20-15-7-9-16(10-8-15)22(2)3)23(21-13)17-6-4-5-14(19)12-17/h4-12,20H,1-3H3.
What are the key properties of 1-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 326.83 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 110452758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).