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

C15H24N4O — CID 91629697

IUPAC1-cyclohexyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cnn2c1CCCC2)NC1CCCCC1
InChIInChI=1S/C15H24N4O/c20-15(18-13-6-2-1-3-7-13)16-10-12-11-17-19-9-5-4-8-14(12)19/h11,13H,1-10H2,(H2,16,18,20)
InChIKeyXSVRMJAZJWWVPV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.35
Rot. Bonds3

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

1-cyclohexyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)urea (PubChem CID 91629697) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)urea
PubChem CID91629697
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-cyclohexyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cnn2c1CCCC2)NC1CCCCC1
InChIInChI=1S/C15H24N4O/c20-15(18-13-6-2-1-3-7-13)16-10-12-11-17-19-9-5-4-8-14(12)19/h11,13H,1-10H2,(H2,16,18,20)
InChIKeyXSVRMJAZJWWVPV-UHFFFAOYSA-N
XLogP2.35
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)urea (CID 91629697) is 1-cyclohexyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)urea is O=C(NCc1cnn2c1CCCC2)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)urea?
The InChIKey is XSVRMJAZJWWVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c20-15(18-13-6-2-1-3-7-13)16-10-12-11-17-19-9-5-4-8-14(12)19/h11,13H,1-10H2,(H2,16,18,20).
What are the key properties of 1-cyclohexyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)urea?
1-cyclohexyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)urea has a molecular weight of 276.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)urea is sourced from PubChem (CID 91629697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).