N-ethyl-5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-amine

C14H19N3O — CID 55145179

IUPACN-ethyl-5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-amine
SMILESCCNc1cc(-c2ccc(OC(C)C)cc2)[nH]n1
InChIInChI=1S/C14H19N3O/c1-4-15-14-9-13(16-17-14)11-5-7-12(8-6-11)18-10(2)3/h5-10H,4H2,1-3H3,(H2,15,16,17)
InChIKeyXALYMHWBTYDLTC-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.30
Rot. Bonds5

About N-ethyl-5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-amine

N-ethyl-5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-amine (PubChem CID 55145179) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-ethyl-5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-ethyl-5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-amine
PubChem CID55145179
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-ethyl-5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-amine
SMILESCCNc1cc(-c2ccc(OC(C)C)cc2)[nH]n1
InChIInChI=1S/C14H19N3O/c1-4-15-14-9-13(16-17-14)11-5-7-12(8-6-11)18-10(2)3/h5-10H,4H2,1-3H3,(H2,15,16,17)
InChIKeyXALYMHWBTYDLTC-UHFFFAOYSA-N
XLogP3.30
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(4-propan-2-yloxyphenyl)pyridin-4-amine
CID 102824750
N-tert-butyl-5-[4-(difluoromethoxy)phenyl]-1H-pyrazol-3-amine
CID 63049353
N,6-diethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 63479154
N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59174009
N-(2-methoxyethyl)-5-(4-propoxyphenyl)-1H-pyrazol-3-amine
CID 63050056
N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine
CID 59363907
2-[6-(ethylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol
CID 137306954
5-methyl-3-(4-propan-2-yloxyphenyl)-1H-pyrazole
CID 116856590
N-(2-methoxyethyl)-5-(4-propylphenyl)-1H-pyrazol-3-amine
CID 55145955
3-(ethylaminomethyl)-6-(4-propan-2-yloxyphenyl)-1H-pyridin-2-one
CID 82517876
5-(4-chlorophenyl)-N-propyl-1H-pyrazol-3-amine
CID 63048476
2-N-ethyl-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-diamine
CID 80759443

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of N-ethyl-5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-amine (CID 55145179) is N-ethyl-5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for N-ethyl-5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for N-ethyl-5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-amine is CCNc1cc(-c2ccc(OC(C)C)cc2)[nH]n1.
What is the InChIKey of N-ethyl-5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is XALYMHWBTYDLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-15-14-9-13(16-17-14)11-5-7-12(8-6-11)18-10(2)3/h5-10H,4H2,1-3H3,(H2,15,16,17).
What are the key properties of N-ethyl-5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-amine?
N-ethyl-5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 245.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 55145179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).