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

C15H22N4O — CID 66017245

IUPAC5-N-[3-(methoxymethyl)phenyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCOCc1cccc(Nc2c(N)c(C(C)C)nn2C)c1
InChIInChI=1S/C15H22N4O/c1-10(2)14-13(16)15(19(3)18-14)17-12-7-5-6-11(8-12)9-20-4/h5-8,10,17H,9,16H2,1-4H3
InChIKeyPWBCVJUFUCNPFI-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.02
Rot. Bonds5

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

5-N-[3-(methoxymethyl)phenyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66017245) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-N-[3-(methoxymethyl)phenyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[3-(methoxymethyl)phenyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID66017245
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name5-N-[3-(methoxymethyl)phenyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCOCc1cccc(Nc2c(N)c(C(C)C)nn2C)c1
InChIInChI=1S/C15H22N4O/c1-10(2)14-13(16)15(19(3)18-14)17-12-7-5-6-11(8-12)9-20-4/h5-8,10,17H,9,16H2,1-4H3
InChIKeyPWBCVJUFUCNPFI-UHFFFAOYSA-N
XLogP3.02
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[3-(methoxymethyl)phenyl]-1,3-dimethylpyrazole-4,5-diamine
CID 54965215
1-methyl-3-propan-2-yl-5-N-(4-propan-2-ylphenyl)pyrazole-4,5-diamine
CID 66018377
3-(methoxymethyl)-N-methylaniline
CID 23080905
6-hydrazinyl-N-[3-(methoxymethyl)phenyl]-5-propan-2-ylpyrimidin-4-amine
CID 80901261
2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436854
3-(methoxymethyl)-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 113252285
5-N-(5-chloro-2-methoxyphenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018572
1-methyl-5-phenylmethoxy-3-propan-2-ylpyrazol-4-amine
CID 66013530
1-[3-(methoxymethyl)phenyl]-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 60957183
4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112726133
1-(2-methoxyethyl)-N-[3-(methoxymethyl)phenyl]imidazol-2-amine
CID 106567138
1-[3-(methoxymethyl)phenyl]-2-propan-2-ylguanidine
CID 62379824

Frequently Asked Questions

What is the IUPAC name of 5-N-[3-(methoxymethyl)phenyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[3-(methoxymethyl)phenyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (CID 66017245) is 5-N-[3-(methoxymethyl)phenyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[3-(methoxymethyl)phenyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[3-(methoxymethyl)phenyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is COCc1cccc(Nc2c(N)c(C(C)C)nn2C)c1.
What is the InChIKey of 5-N-[3-(methoxymethyl)phenyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is PWBCVJUFUCNPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10(2)14-13(16)15(19(3)18-14)17-12-7-5-6-11(8-12)9-20-4/h5-8,10,17H,9,16H2,1-4H3.
What are the key properties of 5-N-[3-(methoxymethyl)phenyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
5-N-[3-(methoxymethyl)phenyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 274.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-(methoxymethyl)phenyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66017245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).