1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea

C15H19N5O2 — CID 94028744

IUPAC1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
SMILESC[C@H](NC(=O)Nc1cccnc1-n1cccn1)[C@H]1CCCO1
InChIInChI=1S/C15H19N5O2/c1-11(13-6-3-10-22-13)18-15(21)19-12-5-2-7-16-14(12)20-9-4-8-17-20/h2,4-5,7-9,11,13H,3,6,10H2,1H3,(H2,18,19,21)/t11-,13+/m0/s1
InChIKeyWZEUZORANMBKIX-WCQYABFASA-N
MW301.35 g/mol
LogP1.96
Rot. Bonds4

About 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea

1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea (PubChem CID 94028744) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
PubChem CID94028744
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
SMILESC[C@H](NC(=O)Nc1cccnc1-n1cccn1)[C@H]1CCCO1
InChIInChI=1S/C15H19N5O2/c1-11(13-6-3-10-22-13)18-15(21)19-12-5-2-7-16-14(12)20-9-4-8-17-20/h2,4-5,7-9,11,13H,3,6,10H2,1H3,(H2,18,19,21)/t11-,13+/m0/s1
InChIKeyWZEUZORANMBKIX-WCQYABFASA-N
XLogP1.96
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea with MolForge

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Related Compounds

N-(2-pyrazol-1-yl-3-pyridinyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 45832880
1-(3,5-Dimethyl-1-propan-2-ylpyrazol-4-yl)-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 47050027
1-(2-Methoxyethyl)-3-(2-pyrazol-1-yl-3-pyridinyl)-1-(pyridin-2-ylmethyl)urea
CID 47050034
1-[6-(Dimethylamino)-3-pyridinyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 51082006
1-(6-Piperidin-1-yl-3-pyridinyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 51082016
1-(1-Pyrazol-1-ylpropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 53500037
1-[1-(2-Oxopyrrolidin-1-yl)propan-2-yl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea
CID 53501451
1-[6-(Diethylamino)-3-pyridinyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 53501610
1-(1-Morpholin-4-ylpropan-2-yl)-3-(2-pyrazol-1-yl-3-pyridinyl)urea
CID 53505630
3-acetamido-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-1-carboxamide
CID 53520513
1-[1-(2-Methoxyethyl)pyrazol-3-yl]-3-pyridin-3-ylurea
CID 53572454
2-N-[(1-ethylpyrazol-4-yl)methyl]-5-N-(2-methoxyethyl)-5-N-methylpyridine-2,5-diamine
CID 71914449

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea (CID 94028744) is 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea is C[C@H](NC(=O)Nc1cccnc1-n1cccn1)[C@H]1CCCO1.
What is the InChIKey of 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea?
The InChIKey is WZEUZORANMBKIX-WCQYABFASA-N. The full InChI is InChI=1S/C15H19N5O2/c1-11(13-6-3-10-22-13)18-15(21)19-12-5-2-7-16-14(12)20-9-4-8-17-20/h2,4-5,7-9,11,13H,3,6,10H2,1H3,(H2,18,19,21)/t11-,13+/m0/s1.
What are the key properties of 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea?
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea has a molecular weight of 301.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-(2-pyrazol-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 94028744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).