5-N-(5-chloro-2-methoxyphenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine

C14H19ClN4O — CID 66018572

IUPAC5-N-(5-chloro-2-methoxyphenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCOc1ccc(Cl)cc1Nc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C14H19ClN4O/c1-8(2)13-12(16)14(19(3)18-13)17-10-7-9(15)5-6-11(10)20-4/h5-8,17H,16H2,1-4H3
InChIKeyFMDWXPZWKZGLQH-UHFFFAOYSA-N
MW294.79 g/mol
LogP3.53
Rot. Bonds4

About 5-N-(5-chloro-2-methoxyphenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine

5-N-(5-chloro-2-methoxyphenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66018572) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 5-N-(5-chloro-2-methoxyphenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(5-chloro-2-methoxyphenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID66018572
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name5-N-(5-chloro-2-methoxyphenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCOc1ccc(Cl)cc1Nc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C14H19ClN4O/c1-8(2)13-12(16)14(19(3)18-13)17-10-7-9(15)5-6-11(10)20-4/h5-8,17H,16H2,1-4H3
InChIKeyFMDWXPZWKZGLQH-UHFFFAOYSA-N
XLogP3.53
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-(5-chloro-2-methoxyphenyl)-1-methyl-3-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-(3,5-dichlorophenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018376
5-N-(2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine
CID 43554148
5-N-(4-bromo-2-fluorophenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66017406
1-methyl-3-propan-2-yl-5-N-(4-propan-2-ylphenyl)pyrazole-4,5-diamine
CID 66018377
5-N-(5-chloro-2-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine
CID 43554203
4-amino-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121449
3-N-(5-chloro-2-methoxyphenyl)pyrazine-2,3-diamine
CID 102985025
5-N-(5-chloro-2-methylphenyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66014175
4-N-(5-chloro-2-methoxyphenyl)-6-N-(furan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22546010
4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 56921023
2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80763444
5-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10264756

Frequently Asked Questions

What is the IUPAC name of 5-N-(5-chloro-2-methoxyphenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(5-chloro-2-methoxyphenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (CID 66018572) is 5-N-(5-chloro-2-methoxyphenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(5-chloro-2-methoxyphenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(5-chloro-2-methoxyphenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is COc1ccc(Cl)cc1Nc1c(N)c(C(C)C)nn1C.
What is the InChIKey of 5-N-(5-chloro-2-methoxyphenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is FMDWXPZWKZGLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-8(2)13-12(16)14(19(3)18-13)17-10-7-9(15)5-6-11(10)20-4/h5-8,17H,16H2,1-4H3.
What are the key properties of 5-N-(5-chloro-2-methoxyphenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
5-N-(5-chloro-2-methoxyphenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 294.79 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5-chloro-2-methoxyphenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66018572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).