4-N-(2-ethylphenyl)-1H-pyrazole-4,5-diamine

C11H14N4 — CID 82236252

IUPAC4-N-(2-ethylphenyl)-1H-pyrazole-4,5-diamine
SMILESCCc1ccccc1Nc1cn[nH]c1N
InChIInChI=1S/C11H14N4/c1-2-8-5-3-4-6-9(8)14-10-7-13-15-11(10)12/h3-7,14H,2H2,1H3,(H3,12,13,15)
InChIKeyKLDWXGAPLNEECN-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.30
Rot. Bonds3

About 4-N-(2-ethylphenyl)-1H-pyrazole-4,5-diamine

4-N-(2-ethylphenyl)-1H-pyrazole-4,5-diamine (PubChem CID 82236252) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-N-(2-ethylphenyl)-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-ethylphenyl)-1H-pyrazole-4,5-diamine
PubChem CID82236252
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name4-N-(2-ethylphenyl)-1H-pyrazole-4,5-diamine
SMILESCCc1ccccc1Nc1cn[nH]c1N
InChIInChI=1S/C11H14N4/c1-2-8-5-3-4-6-9(8)14-10-7-13-15-11(10)12/h3-7,14H,2H2,1H3,(H3,12,13,15)
InChIKeyKLDWXGAPLNEECN-UHFFFAOYSA-N
XLogP2.30
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-propylphenyl)-1H-pyrazole-4,5-diamine
CID 114995960
5-amino-N-(2-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 54922893
N-(2-ethylphenyl)-1H-pyrazol-4-amine
CID 125449698
1-N-(2-ethylphenyl)-3-methylbenzene-1,2-diamine
CID 114041167
4-(2-ethylanilino)benzenethiol
CID 166755248
5-N-(2-ethylphenyl)-3-methylisoquinoline-5,8-diamine
CID 102713003
4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 22544115
3-N-(2-ethylphenyl)pyrazine-2,3-diamine
CID 102985203
4-N-(2-ethylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027221
2-N-(5-methyl-1H-pyrazol-4-yl)benzene-1,2-diamine
CID 115017562
2-N-(2-ethylphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436588
4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine
CID 115468565

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylphenyl)-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-(2-ethylphenyl)-1H-pyrazole-4,5-diamine (CID 82236252) is 4-N-(2-ethylphenyl)-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-(2-ethylphenyl)-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-(2-ethylphenyl)-1H-pyrazole-4,5-diamine is CCc1ccccc1Nc1cn[nH]c1N.
What is the InChIKey of 4-N-(2-ethylphenyl)-1H-pyrazole-4,5-diamine?
The InChIKey is KLDWXGAPLNEECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-8-5-3-4-6-9(8)14-10-7-13-15-11(10)12/h3-7,14H,2H2,1H3,(H3,12,13,15).
What are the key properties of 4-N-(2-ethylphenyl)-1H-pyrazole-4,5-diamine?
4-N-(2-ethylphenyl)-1H-pyrazole-4,5-diamine has a molecular weight of 202.26 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylphenyl)-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 82236252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).