4-(4-ethoxyphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine

C15H15N5O — CID 102921935

IUPAC4-(4-ethoxyphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine
SMILESCCOc1ccc(-c2c(N)n[nH]c2-c2cncnc2)cc1
InChIInChI=1S/C15H15N5O/c1-2-21-12-5-3-10(4-6-12)13-14(19-20-15(13)16)11-7-17-9-18-8-11/h3-9H,2H2,1H3,(H3,16,19,20)
InChIKeyAGDVVXFEVQPVBW-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.51
Rot. Bonds4

About 4-(4-ethoxyphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine

4-(4-ethoxyphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine (PubChem CID 102921935) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine
PubChem CID102921935
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-(4-ethoxyphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine
SMILESCCOc1ccc(-c2c(N)n[nH]c2-c2cncnc2)cc1
InChIInChI=1S/C15H15N5O/c1-2-21-12-5-3-10(4-6-12)13-14(19-20-15(13)16)11-7-17-9-18-8-11/h3-9H,2H2,1H3,(H3,16,19,20)
InChIKeyAGDVVXFEVQPVBW-UHFFFAOYSA-N
XLogP2.51
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-ethoxyphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-pyridin-4-yl-5-pyrimidin-5-yl-1H-pyrazol-3-amine
CID 102921993
4-(3-methoxy-4-methylphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine
CID 102921933
3-amino-5-(4-ethoxyphenyl)-1H-pyrazole-4-carboxylic acid
CID 82479753
4-(4-ethoxyphenyl)-5-methyl-1,2-oxazol-3-amine
CID 66199638
4-(4-ethoxyphenyl)-1,3-oxazol-2-amine
CID 62065908
6-(4-ethoxyphenyl)-1,2,4-triazin-5-amine
CID 116822998
4-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 60650136
5-(4-ethoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80522490
6-(4-ethoxyphenyl)pyridin-3-amine
CID 79018845
4-(2-chloro-6-fluorophenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine
CID 102921922
5-tert-butyl-4-(4-ethoxyphenyl)-1,2-oxazol-3-amine
CID 66200446
3-amino-4-(4-propoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82485027

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine?
The IUPAC name of 4-(4-ethoxyphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine (CID 102921935) is 4-(4-ethoxyphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(4-ethoxyphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(4-ethoxyphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine is CCOc1ccc(-c2c(N)n[nH]c2-c2cncnc2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine?
The InChIKey is AGDVVXFEVQPVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-21-12-5-3-10(4-6-12)13-14(19-20-15(13)16)11-7-17-9-18-8-11/h3-9H,2H2,1H3,(H3,16,19,20).
What are the key properties of 4-(4-ethoxyphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine?
4-(4-ethoxyphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine has a molecular weight of 281.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 102921935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).