1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(thiophen-2-ylmethyl)urea

C14H18N4OS — CID 91629700

IUPAC1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NCc1cnn2c1CCCC2
InChIInChI=1S/C14H18N4OS/c19-14(16-10-12-4-3-7-20-12)15-8-11-9-17-18-6-2-1-5-13(11)18/h3-4,7,9H,1-2,5-6,8,10H2,(H2,15,16,19)
InChIKeyXHXCWBMUUKJFFM-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.28
Rot. Bonds4

About 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(thiophen-2-ylmethyl)urea

1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(thiophen-2-ylmethyl)urea (PubChem CID 91629700) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(thiophen-2-ylmethyl)urea
PubChem CID91629700
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1cccs1)NCc1cnn2c1CCCC2
InChIInChI=1S/C14H18N4OS/c19-14(16-10-12-4-3-7-20-12)15-8-11-9-17-18-6-2-1-5-13(11)18/h3-4,7,9H,1-2,5-6,8,10H2,(H2,15,16,19)
InChIKeyXHXCWBMUUKJFFM-UHFFFAOYSA-N
XLogP2.28
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(thiophen-2-ylmethyl)urea (CID 91629700) is 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(thiophen-2-ylmethyl)urea is O=C(NCc1cccs1)NCc1cnn2c1CCCC2.
What is the InChIKey of 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(thiophen-2-ylmethyl)urea?
The InChIKey is XHXCWBMUUKJFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c19-14(16-10-12-4-3-7-20-12)15-8-11-9-17-18-6-2-1-5-13(11)18/h3-4,7,9H,1-2,5-6,8,10H2,(H2,15,16,19).
What are the key properties of 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(thiophen-2-ylmethyl)urea?
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(thiophen-2-ylmethyl)urea has a molecular weight of 290.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 91629700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).