4-N-methyl-4-N-[(3-methylphenyl)methyl]-1H-pyrazole-4,5-diamine

C12H16N4 — CID 82236914

IUPAC4-N-methyl-4-N-[(3-methylphenyl)methyl]-1H-pyrazole-4,5-diamine
SMILESCc1cccc(CN(C)c2cn[nH]c2N)c1
InChIInChI=1S/C12H16N4/c1-9-4-3-5-10(6-9)8-16(2)11-7-14-15-12(11)13/h3-7H,8H2,1-2H3,(H3,13,14,15)
InChIKeyKLGYDGDUWTXBBE-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.94
Rot. Bonds3

About 4-N-methyl-4-N-[(3-methylphenyl)methyl]-1H-pyrazole-4,5-diamine

4-N-methyl-4-N-[(3-methylphenyl)methyl]-1H-pyrazole-4,5-diamine (PubChem CID 82236914) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(3-methylphenyl)methyl]-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(3-methylphenyl)methyl]-1H-pyrazole-4,5-diamine
PubChem CID82236914
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name4-N-methyl-4-N-[(3-methylphenyl)methyl]-1H-pyrazole-4,5-diamine
SMILESCc1cccc(CN(C)c2cn[nH]c2N)c1
InChIInChI=1S/C12H16N4/c1-9-4-3-5-10(6-9)8-16(2)11-7-14-15-12(11)13/h3-7H,8H2,1-2H3,(H3,13,14,15)
InChIKeyKLGYDGDUWTXBBE-UHFFFAOYSA-N
XLogP1.94
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(4-fluorophenyl)methyl]-4-N-methyl-1H-pyrazole-4,5-diamine
CID 82236296
4-N-(furan-3-ylmethyl)-4-N-methyl-1H-pyrazole-4,5-diamine
CID 82236923
2-iodo-1-N-methyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
CID 66093340
3-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine
CID 81246098
6-N-methyl-6-N-[(3-methylphenyl)methyl]isoquinoline-5,6-diamine
CID 106947745
4-ethyl-3-[methyl-[(3-methylphenyl)methyl]amino]-1H-1,2,4-triazole-5-thione
CID 61411389
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 116796777
4-[4-[(3-methylphenyl)methyl]phenyl]-1H-pyrazol-5-amine
CID 22408196
4-N-methyl-4-N-[(3-methylphenyl)methyl]quinoline-4,7-diamine
CID 103000600
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyridine-2,3-diamine
CID 61414258
6-hydrazinyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80899123
2-bromo-6-[methyl-[(3-methylphenyl)methyl]amino]benzenecarbothioamide
CID 114882056

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(3-methylphenyl)methyl]-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-methyl-4-N-[(3-methylphenyl)methyl]-1H-pyrazole-4,5-diamine (CID 82236914) is 4-N-methyl-4-N-[(3-methylphenyl)methyl]-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(3-methylphenyl)methyl]-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(3-methylphenyl)methyl]-1H-pyrazole-4,5-diamine is Cc1cccc(CN(C)c2cn[nH]c2N)c1.
What is the InChIKey of 4-N-methyl-4-N-[(3-methylphenyl)methyl]-1H-pyrazole-4,5-diamine?
The InChIKey is KLGYDGDUWTXBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-4-3-5-10(6-9)8-16(2)11-7-14-15-12(11)13/h3-7H,8H2,1-2H3,(H3,13,14,15).
What are the key properties of 4-N-methyl-4-N-[(3-methylphenyl)methyl]-1H-pyrazole-4,5-diamine?
4-N-methyl-4-N-[(3-methylphenyl)methyl]-1H-pyrazole-4,5-diamine has a molecular weight of 216.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(3-methylphenyl)methyl]-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 82236914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).