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

C13H15N5 — CID 83813874

IUPAC1-phenyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine
SMILESNc1c(C2=NCCCN2)cnn1-c1ccccc1
InChIInChI=1S/C13H15N5/c14-12-11(13-15-7-4-8-16-13)9-17-18(12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8,14H2,(H,15,16)
InChIKeyZJNDTXYOMFTHTM-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.19
Rot. Bonds2

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

1-phenyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine (PubChem CID 83813874) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 1-phenyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-phenyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine
PubChem CID83813874
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name1-phenyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine
SMILESNc1c(C2=NCCCN2)cnn1-c1ccccc1
InChIInChI=1S/C13H15N5/c14-12-11(13-15-7-4-8-16-13)9-17-18(12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8,14H2,(H,15,16)
InChIKeyZJNDTXYOMFTHTM-UHFFFAOYSA-N
XLogP1.19
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine?
The IUPAC name of 1-phenyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine (CID 83813874) is 1-phenyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1-phenyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine?
The canonical SMILES for 1-phenyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine is Nc1c(C2=NCCCN2)cnn1-c1ccccc1.
What is the InChIKey of 1-phenyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine?
The InChIKey is ZJNDTXYOMFTHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c14-12-11(13-15-7-4-8-16-13)9-17-18(12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8,14H2,(H,15,16).
What are the key properties of 1-phenyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine?
1-phenyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine has a molecular weight of 241.30 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine is sourced from PubChem (CID 83813874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).