1-(4-methoxyphenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine

C14H17N5O — CID 155520391

IUPAC1-(4-methoxyphenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine
SMILESCOc1ccc(-n2ncc(C3=NCCCN3)c2N)cc1
InChIInChI=1S/C14H17N5O/c1-20-11-5-3-10(4-6-11)19-13(15)12(9-18-19)14-16-7-2-8-17-14/h3-6,9H,2,7-8,15H2,1H3,(H,16,17)
InChIKeyXJBZKNDASCSZRL-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.20
Rot. Bonds3

About 1-(4-methoxyphenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine

1-(4-methoxyphenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine (PubChem CID 155520391) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine
PubChem CID155520391
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-(4-methoxyphenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine
SMILESCOc1ccc(-n2ncc(C3=NCCCN3)c2N)cc1
InChIInChI=1S/C14H17N5O/c1-20-11-5-3-10(4-6-11)19-13(15)12(9-18-19)14-16-7-2-8-17-14/h3-6,9H,2,7-8,15H2,1H3,(H,16,17)
InChIKeyXJBZKNDASCSZRL-UHFFFAOYSA-N
XLogP1.20
TPSA77.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine?
The IUPAC name of 1-(4-methoxyphenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine (CID 155520391) is 1-(4-methoxyphenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine is COc1ccc(-n2ncc(C3=NCCCN3)c2N)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine?
The InChIKey is XJBZKNDASCSZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-20-11-5-3-10(4-6-11)19-13(15)12(9-18-19)14-16-7-2-8-17-14/h3-6,9H,2,7-8,15H2,1H3,(H,16,17).
What are the key properties of 1-(4-methoxyphenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine?
1-(4-methoxyphenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine has a molecular weight of 271.32 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine is sourced from PubChem (CID 155520391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).