1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]ethanamine

C14H18N4 — CID 165459436

IUPAC1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(-c2cnn3c2NCCC3)cc1
InChIInChI=1S/C14H18N4/c1-10(15)11-3-5-12(6-4-11)13-9-17-18-8-2-7-16-14(13)18/h3-6,9-10,16H,2,7-8,15H2,1H3
InChIKeySFWMRGUCBINAMM-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.39
Rot. Bonds2

About 1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]ethanamine

1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]ethanamine (PubChem CID 165459436) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]ethanamine
PubChem CID165459436
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(-c2cnn3c2NCCC3)cc1
InChIInChI=1S/C14H18N4/c1-10(15)11-3-5-12(6-4-11)13-9-17-18-8-2-7-16-14(13)18/h3-6,9-10,16H,2,7-8,15H2,1H3
InChIKeySFWMRGUCBINAMM-UHFFFAOYSA-N
XLogP2.39
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]ethanamine?
The IUPAC name of 1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]ethanamine (CID 165459436) is 1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]ethanamine is CC(N)c1ccc(-c2cnn3c2NCCC3)cc1.
What is the InChIKey of 1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]ethanamine?
The InChIKey is SFWMRGUCBINAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10(15)11-3-5-12(6-4-11)13-9-17-18-8-2-7-16-14(13)18/h3-6,9-10,16H,2,7-8,15H2,1H3.
What are the key properties of 1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]ethanamine?
1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]ethanamine has a molecular weight of 242.33 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]ethanamine is sourced from PubChem (CID 165459436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).