N-(2-ethylphenyl)-1H-pyrazol-4-amine

C11H13N3 — CID 125449698

IUPACN-(2-ethylphenyl)-1H-pyrazol-4-amine
SMILESCCc1ccccc1Nc1cn[nH]c1
InChIInChI=1S/C11H13N3/c1-2-9-5-3-4-6-11(9)14-10-7-12-13-8-10/h3-8,14H,2H2,1H3,(H,12,13)
InChIKeyKHUSRVUAFJJUKN-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.72
Rot. Bonds3

About N-(2-ethylphenyl)-1H-pyrazol-4-amine

N-(2-ethylphenyl)-1H-pyrazol-4-amine (PubChem CID 125449698) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1H-pyrazol-4-amine
PubChem CID125449698
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN-(2-ethylphenyl)-1H-pyrazol-4-amine
SMILESCCc1ccccc1Nc1cn[nH]c1
InChIInChI=1S/C11H13N3/c1-2-9-5-3-4-6-11(9)14-10-7-12-13-8-10/h3-8,14H,2H2,1H3,(H,12,13)
InChIKeyKHUSRVUAFJJUKN-UHFFFAOYSA-N
XLogP2.72
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)phenyl]-1H-pyrazol-4-amine
CID 115017561
N-(2-methylphenyl)-1H-pyrazol-4-amine
CID 125450527
4-N-(2-ethylphenyl)-1H-pyrazole-4,5-diamine
CID 82236252
N-[2-[(1H-pyrazol-4-ylamino)methyl]phenyl]acetamide
CID 66386649
4-N-(2-ethylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027221
5-N-(2-ethylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104532392
N-(2-ethylphenyl)-1-methylpyrazol-4-amine
CID 125450471
4-(2-ethylanilino)benzenethiol
CID 166755248
N-(2-ethylphenyl)-2-(1H-pyrazol-4-ylmethoxy)acetamide
CID 126837470
2-(propylamino)-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 55043588
1-(2-fluorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430028
3-N-(2-ethylphenyl)pyrazine-2,3-diamine
CID 102985203

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1H-pyrazol-4-amine?
The IUPAC name of N-(2-ethylphenyl)-1H-pyrazol-4-amine (CID 125449698) is N-(2-ethylphenyl)-1H-pyrazol-4-amine.
What is the SMILES notation for N-(2-ethylphenyl)-1H-pyrazol-4-amine?
The canonical SMILES for N-(2-ethylphenyl)-1H-pyrazol-4-amine is CCc1ccccc1Nc1cn[nH]c1.
What is the InChIKey of N-(2-ethylphenyl)-1H-pyrazol-4-amine?
The InChIKey is KHUSRVUAFJJUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-9-5-3-4-6-11(9)14-10-7-12-13-8-10/h3-8,14H,2H2,1H3,(H,12,13).
What are the key properties of N-(2-ethylphenyl)-1H-pyrazol-4-amine?
N-(2-ethylphenyl)-1H-pyrazol-4-amine has a molecular weight of 187.25 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 125449698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).