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

C15H15N5O — CID 102921933

IUPAC4-(3-methoxy-4-methylphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine
SMILESCOc1cc(-c2c(N)n[nH]c2-c2cncnc2)ccc1C
InChIInChI=1S/C15H15N5O/c1-9-3-4-10(5-12(9)21-2)13-14(19-20-15(13)16)11-6-17-8-18-7-11/h3-8H,1-2H3,(H3,16,19,20)
InChIKeyRLRXJKSXMSKKSP-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.43
Rot. Bonds3

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

4-(3-methoxy-4-methylphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine (PubChem CID 102921933) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-(3-methoxy-4-methylphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-methoxy-4-methylphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine
PubChem CID102921933
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name4-(3-methoxy-4-methylphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine
SMILESCOc1cc(-c2c(N)n[nH]c2-c2cncnc2)ccc1C
InChIInChI=1S/C15H15N5O/c1-9-3-4-10(5-12(9)21-2)13-14(19-20-15(13)16)11-6-17-8-18-7-11/h3-8H,1-2H3,(H3,16,19,20)
InChIKeyRLRXJKSXMSKKSP-UHFFFAOYSA-N
XLogP2.43
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-pyridin-4-yl-5-pyrimidin-5-yl-1H-pyrazol-3-amine
CID 102921993
4-(4-ethoxyphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine
CID 102921935
5-(5-fluoro-3-pyridinyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 104785968
5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 61261996
3-amino-4-(4-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 82086444
4-(2-methoxy-5-methylphenyl)-5-pyridazin-4-yl-1H-pyrazol-3-amine
CID 104670632
5-(3-chloro-4-methylthiophen-2-yl)-4-(3,4-dimethylphenyl)-1H-pyrazol-3-amine
CID 103402151
4-(3,4-dimethylphenyl)-5-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 62901471
4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829235
4-(3,4-dichlorophenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 63525572
4-(2-chloro-6-fluorophenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine
CID 102921922
5-(3-methoxy-4-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525603

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-methylphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-methoxy-4-methylphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine (CID 102921933) is 4-(3-methoxy-4-methylphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-methoxy-4-methylphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-methoxy-4-methylphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine is COc1cc(-c2c(N)n[nH]c2-c2cncnc2)ccc1C.
What is the InChIKey of 4-(3-methoxy-4-methylphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine?
The InChIKey is RLRXJKSXMSKKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-9-3-4-10(5-12(9)21-2)13-14(19-20-15(13)16)11-6-17-8-18-7-11/h3-8H,1-2H3,(H3,16,19,20).
What are the key properties of 4-(3-methoxy-4-methylphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine?
4-(3-methoxy-4-methylphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine has a molecular weight of 281.32 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-methylphenyl)-5-pyrimidin-5-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 102921933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).