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

C12H21N5O — CID 126817155

IUPAC1-propan-2-yl-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]urea
SMILESCC(C)NC(=O)NCCN1CCc2[nH]ncc2C1
InChIInChI=1S/C12H21N5O/c1-9(2)15-12(18)13-4-6-17-5-3-11-10(8-17)7-14-16-11/h7,9H,3-6,8H2,1-2H3,(H,14,16)(H2,13,15,18)
InChIKeyVWQXUYKMWMNYFM-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.48
Rot. Bonds4

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

1-propan-2-yl-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]urea (PubChem CID 126817155) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-propan-2-yl-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]urea
PubChem CID126817155
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name1-propan-2-yl-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]urea
SMILESCC(C)NC(=O)NCCN1CCc2[nH]ncc2C1
InChIInChI=1S/C12H21N5O/c1-9(2)15-12(18)13-4-6-17-5-3-11-10(8-17)7-14-16-11/h7,9H,3-6,8H2,1-2H3,(H,14,16)(H2,13,15,18)
InChIKeyVWQXUYKMWMNYFM-UHFFFAOYSA-N
XLogP0.48
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]urea?
The IUPAC name of 1-propan-2-yl-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]urea (CID 126817155) is 1-propan-2-yl-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]urea?
The canonical SMILES for 1-propan-2-yl-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]urea is CC(C)NC(=O)NCCN1CCc2[nH]ncc2C1.
What is the InChIKey of 1-propan-2-yl-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]urea?
The InChIKey is VWQXUYKMWMNYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9(2)15-12(18)13-4-6-17-5-3-11-10(8-17)7-14-16-11/h7,9H,3-6,8H2,1-2H3,(H,14,16)(H2,13,15,18).
What are the key properties of 1-propan-2-yl-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]urea?
1-propan-2-yl-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]urea has a molecular weight of 251.33 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]urea is sourced from PubChem (CID 126817155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).