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

C14H19ClN4 — CID 66029512

IUPAC5-N-[(3-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NCc2cccc(Cl)c2)c1N
InChIInChI=1S/C14H19ClN4/c1-9(2)19-14(13(16)10(3)18-19)17-8-11-5-4-6-12(15)7-11/h4-7,9,17H,8,16H2,1-3H3
InChIKeyTXFJRESTCUSILO-UHFFFAOYSA-N
MW278.79 g/mol
LogP3.62
Rot. Bonds4

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

5-N-[(3-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66029512) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 5-N-[(3-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[(3-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID66029512
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name5-N-[(3-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NCc2cccc(Cl)c2)c1N
InChIInChI=1S/C14H19ClN4/c1-9(2)19-14(13(16)10(3)18-19)17-8-11-5-4-6-12(15)7-11/h4-7,9,17H,8,16H2,1-3H3
InChIKeyTXFJRESTCUSILO-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-[(3-chlorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine
CID 62537746
5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027142
3-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-propan-2-ylpyrazole-4,5-diamine
CID 66024374
5-[(3-chlorophenyl)methylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 63757585
3-methyl-5-N-naphthalen-1-yl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029077
1,3-dimethyl-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4,5-diamine
CID 43554040
3-chloro-1-N-[(3-chlorophenyl)methyl]benzene-1,2-diamine
CID 113458621
1-[3,5-bis[(3-chlorophenyl)methylamino]-1,2,4-triazol-1-yl]-2-methylpropan-1-one
CID 7325537
2-N-[(3-chlorophenyl)methyl]pyridine-2,3-diamine
CID 62537408
N-[(3-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704963
5-N-[(3,4-difluorophenyl)methyl]-1,3-dimethylpyrazole-4,5-diamine
CID 54965772
5-N-(3,5-dichloro-4-fluorophenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 107571588

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[(3-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (CID 66029512) is 5-N-[(3-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[(3-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[(3-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is Cc1nn(C(C)C)c(NCc2cccc(Cl)c2)c1N.
What is the InChIKey of 5-N-[(3-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is TXFJRESTCUSILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-9(2)19-14(13(16)10(3)18-19)17-8-11-5-4-6-12(15)7-11/h4-7,9,17H,8,16H2,1-3H3.
What are the key properties of 5-N-[(3-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N-[(3-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-[(3-chlorophenyl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66029512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).