5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

C14H19ClN4 — CID 66027142

IUPAC5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NCc2ccccc2Cl)c1N
InChIInChI=1S/C14H19ClN4/c1-9(2)19-14(13(16)10(3)18-19)17-8-11-6-4-5-7-12(11)15/h4-7,9,17H,8,16H2,1-3H3
InChIKeyODTQRKIJRRHWLL-UHFFFAOYSA-N
MW278.79 g/mol
LogP3.62
Rot. Bonds4

About 5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66027142) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID66027142
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NCc2ccccc2Cl)c1N
InChIInChI=1S/C14H19ClN4/c1-9(2)19-14(13(16)10(3)18-19)17-8-11-6-4-5-7-12(11)15/h4-7,9,17H,8,16H2,1-3H3
InChIKeyODTQRKIJRRHWLL-UHFFFAOYSA-N
XLogP3.62
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029529
5-N-(2-ethylphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027346
5-N-[2-(4-chlorophenyl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029491
5-N-(1H-imidazol-5-ylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66024600
3-methyl-5-N-naphthalen-1-yl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029077
5-N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029264
3-methyl-5-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrazole-4,5-diamine
CID 66023712
5-N-(2-ethoxypropyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 113476976
5-N-(cyclopentylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027739
5-N-[2-(dimethylamino)phenyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 106759506
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 43445326
2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-1-ol
CID 66029865

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (CID 66027142) is 5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is Cc1nn(C(C)C)c(NCc2ccccc2Cl)c1N.
What is the InChIKey of 5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is ODTQRKIJRRHWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-9(2)19-14(13(16)10(3)18-19)17-8-11-6-4-5-7-12(11)15/h4-7,9,17H,8,16H2,1-3H3.
What are the key properties of 5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 278.79 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66027142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).