[2-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]urea

C11H17N5O2 — CID 91771576

IUPAC[2-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]urea
SMILESCCc1n[nH]c2c1CN(C(=O)CNC(N)=O)CC2
InChIInChI=1S/C11H17N5O2/c1-2-8-7-6-16(4-3-9(7)15-14-8)10(17)5-13-11(12)18/h2-6H2,1H3,(H,14,15)(H3,12,13,18)
InChIKeyMVGMEXMOWNAPLM-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.47
Rot. Bonds3

About [2-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]urea

[2-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]urea (PubChem CID 91771576) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is [2-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]urea
PubChem CID91771576
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name[2-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]urea
SMILESCCc1n[nH]c2c1CN(C(=O)CNC(N)=O)CC2
InChIInChI=1S/C11H17N5O2/c1-2-8-7-6-16(4-3-9(7)15-14-8)10(17)5-13-11(12)18/h2-6H2,1H3,(H,14,15)(H3,12,13,18)
InChIKeyMVGMEXMOWNAPLM-UHFFFAOYSA-N
XLogP-0.47
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]urea?
The IUPAC name of [2-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]urea (CID 91771576) is [2-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]urea.
What is the SMILES notation for [2-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]urea?
The canonical SMILES for [2-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]urea is CCc1n[nH]c2c1CN(C(=O)CNC(N)=O)CC2.
What is the InChIKey of [2-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]urea?
The InChIKey is MVGMEXMOWNAPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-2-8-7-6-16(4-3-9(7)15-14-8)10(17)5-13-11(12)18/h2-6H2,1H3,(H,14,15)(H3,12,13,18).
What are the key properties of [2-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]urea?
[2-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]urea has a molecular weight of 251.29 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]urea is sourced from PubChem (CID 91771576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).