5-N-[(3-chlorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine

C12H15ClN4 — CID 62537746

IUPAC5-N-[(3-chlorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(NCc2cccc(Cl)c2)c1N
InChIInChI=1S/C12H15ClN4/c1-8-11(14)12(17(2)16-8)15-7-9-4-3-5-10(13)6-9/h3-6,15H,7,14H2,1-2H3
InChIKeyRGNXBFMQRJPUKQ-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.58
Rot. Bonds3

About 5-N-[(3-chlorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine

5-N-[(3-chlorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine (PubChem CID 62537746) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 5-N-[(3-chlorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[(3-chlorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine
PubChem CID62537746
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name5-N-[(3-chlorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine
SMILESCc1nn(C)c(NCc2cccc(Cl)c2)c1N
InChIInChI=1S/C12H15ClN4/c1-8-11(14)12(17(2)16-8)15-7-9-4-3-5-10(13)6-9/h3-6,15H,7,14H2,1-2H3
InChIKeyRGNXBFMQRJPUKQ-UHFFFAOYSA-N
XLogP2.58
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[(3-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029512
1,3-dimethyl-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4,5-diamine
CID 43554040
5-[(3-chlorophenyl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 63757585
5-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine
CID 54965772
5-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine
CID 103291777
5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027410
N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 115899747
N-[(3-chlorophenyl)methyl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46984116
5-N-(5-chloro-2-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine
CID 43554203
5-N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4,5-diamine
CID 65469847
3-chloro-1-N-[(3-chlorophenyl)methyl]benzene-1,2-diamine
CID 113458621
5-N-[3-(methoxymethyl)phenyl]-1,3-dimethylpyrazole-4,5-diamine
CID 54965215

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-chlorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[(3-chlorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine (CID 62537746) is 5-N-[(3-chlorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[(3-chlorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[(3-chlorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine is Cc1nn(C)c(NCc2cccc(Cl)c2)c1N.
What is the InChIKey of 5-N-[(3-chlorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine?
The InChIKey is RGNXBFMQRJPUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-8-11(14)12(17(2)16-8)15-7-9-4-3-5-10(13)6-9/h3-6,15H,7,14H2,1-2H3.
What are the key properties of 5-N-[(3-chlorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine?
5-N-[(3-chlorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine has a molecular weight of 250.73 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-chlorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 62537746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).