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

C15H22N4 — CID 66017234

IUPAC1-methyl-5-N-[(2-methylphenyl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
SMILESCc1ccccc1CNc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C15H22N4/c1-10(2)14-13(16)15(19(4)18-14)17-9-12-8-6-5-7-11(12)3/h5-8,10,17H,9,16H2,1-4H3
InChIKeyDBGBMGWIWIPBAG-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.05
Rot. Bonds4

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

1-methyl-5-N-[(2-methylphenyl)methyl]-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66017234) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-methyl-5-N-[(2-methylphenyl)methyl]-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name1-methyl-5-N-[(2-methylphenyl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID66017234
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-methyl-5-N-[(2-methylphenyl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
SMILESCc1ccccc1CNc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C15H22N4/c1-10(2)14-13(16)15(19(4)18-14)17-9-12-8-6-5-7-11(12)3/h5-8,10,17H,9,16H2,1-4H3
InChIKeyDBGBMGWIWIPBAG-UHFFFAOYSA-N
XLogP3.05
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[(4-fluorophenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66019338
1-methyl-3-propan-2-yl-5-N-(pyridazin-3-ylmethyl)pyrazole-4,5-diamine
CID 106894776
1-methyl-3-propan-2-yl-5-N-(1H-pyrazol-5-ylmethyl)pyrazole-4,5-diamine
CID 66017428
1-methyl-5-N-(1,2-oxazol-5-ylmethyl)-3-propan-2-ylpyrazole-4,5-diamine
CID 114185816
1-methyl-3-propan-2-yl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine
CID 66017201
1,3-dimethyl-5-N-[2-(2-methylphenyl)ethyl]pyrazole-4,5-diamine
CID 79762588
4-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]benzonitrile
CID 66019778
1-methyl-5-N-(1-phenylethyl)-3-propan-2-ylpyrazole-4,5-diamine
CID 66018949
1-methyl-5-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-4,5-diamine
CID 66011943
5-N-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018172
5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018365
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid
CID 66019776

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-N-[(2-methylphenyl)methyl]-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 1-methyl-5-N-[(2-methylphenyl)methyl]-3-propan-2-ylpyrazole-4,5-diamine (CID 66017234) is 1-methyl-5-N-[(2-methylphenyl)methyl]-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 1-methyl-5-N-[(2-methylphenyl)methyl]-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 1-methyl-5-N-[(2-methylphenyl)methyl]-3-propan-2-ylpyrazole-4,5-diamine is Cc1ccccc1CNc1c(N)c(C(C)C)nn1C.
What is the InChIKey of 1-methyl-5-N-[(2-methylphenyl)methyl]-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is DBGBMGWIWIPBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-10(2)14-13(16)15(19(4)18-14)17-9-12-8-6-5-7-11(12)3/h5-8,10,17H,9,16H2,1-4H3.
What are the key properties of 1-methyl-5-N-[(2-methylphenyl)methyl]-3-propan-2-ylpyrazole-4,5-diamine?
1-methyl-5-N-[(2-methylphenyl)methyl]-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 258.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-N-[(2-methylphenyl)methyl]-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66017234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).