1-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea

C17H23N5O2 — CID 164642668

IUPAC1-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea
SMILESCc1ccnc(-n2nccc2NC(=O)NC[C@H]2CCC(C)(C)O2)c1
InChIInChI=1S/C17H23N5O2/c1-12-5-8-18-15(10-12)22-14(6-9-20-22)21-16(23)19-11-13-4-7-17(2,3)24-13/h5-6,8-10,13H,4,7,11H2,1-3H3,(H2,19,21,23)/t13-/m1/s1
InChIKeyHVDKMLLTCAMTFW-CYBMUJFWSA-N
MW329.40 g/mol
LogP2.65
Rot. Bonds4

About 1-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea

1-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea (PubChem CID 164642668) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea
PubChem CID164642668
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea
SMILESCc1ccnc(-n2nccc2NC(=O)NC[C@H]2CCC(C)(C)O2)c1
InChIInChI=1S/C17H23N5O2/c1-12-5-8-18-15(10-12)22-14(6-9-20-22)21-16(23)19-11-13-4-7-17(2,3)24-13/h5-6,8-10,13H,4,7,11H2,1-3H3,(H2,19,21,23)/t13-/m1/s1
InChIKeyHVDKMLLTCAMTFW-CYBMUJFWSA-N
XLogP2.65
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea?
The IUPAC name of 1-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea (CID 164642668) is 1-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea is Cc1ccnc(-n2nccc2NC(=O)NC[C@H]2CCC(C)(C)O2)c1.
What is the InChIKey of 1-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea?
The InChIKey is HVDKMLLTCAMTFW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-5-8-18-15(10-12)22-14(6-9-20-22)21-16(23)19-11-13-4-7-17(2,3)24-13/h5-6,8-10,13H,4,7,11H2,1-3H3,(H2,19,21,23)/t13-/m1/s1.
What are the key properties of 1-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea?
1-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea has a molecular weight of 329.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-5,5-dimethyloxolan-2-yl]methyl]-3-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]urea is sourced from PubChem (CID 164642668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).