N-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

C13H18N4 — CID 65376288

IUPACN-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCc1ccc(NC(CN)c2cnn(C)c2)cc1
InChIInChI=1S/C13H18N4/c1-10-3-5-12(6-4-10)16-13(7-14)11-8-15-17(2)9-11/h3-6,8-9,13,16H,7,14H2,1-2H3
InChIKeyKWQUXYXLKMDTSZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.84
Rot. Bonds4

About N-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

N-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 65376288) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID65376288
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCc1ccc(NC(CN)c2cnn(C)c2)cc1
InChIInChI=1S/C13H18N4/c1-10-3-5-12(6-4-10)16-13(7-14)11-8-15-17(2)9-11/h3-6,8-9,13,16H,7,14H2,1-2H3
InChIKeyKWQUXYXLKMDTSZ-UHFFFAOYSA-N
XLogP1.84
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65383877
ethyl 2-(4-methylanilino)-2-(1-methylpyrazol-4-yl)acetate
CID 60991776
2-(4-bromoanilino)-2-(1-methylpyrazol-4-yl)ethanol
CID 61049265
N-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65379188
1-(3-methylimidazol-4-yl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 66116258
1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65377760
N-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 83012078
ethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate
CID 43199855
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
N-(3,5-dimethylphenyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 82131994
2-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)sulfanylethanamine
CID 55016886
1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 106817471

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 65376288) is N-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is Cc1ccc(NC(CN)c2cnn(C)c2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is KWQUXYXLKMDTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-3-5-12(6-4-10)16-13(7-14)11-8-15-17(2)9-11/h3-6,8-9,13,16H,7,14H2,1-2H3.
What are the key properties of N-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
N-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 230.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 65376288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).