1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea

C13H22N4O3 — CID 94031414

IUPAC1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
SMILESCOCCn1cc(NC(=O)N[C@H](C)[C@H]2CCCO2)cn1
InChIInChI=1S/C13H22N4O3/c1-10(12-4-3-6-20-12)15-13(18)16-11-8-14-17(9-11)5-7-19-2/h8-10,12H,3-7H2,1-2H3,(H2,15,16,18)/t10-,12-/m1/s1
InChIKeyZWHYMHHAHFFQHP-ZYHUDNBSSA-N
MW282.34 g/mol
LogP1.22
Rot. Bonds6

About 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea

1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea (PubChem CID 94031414) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
PubChem CID94031414
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
SMILESCOCCn1cc(NC(=O)N[C@H](C)[C@H]2CCCO2)cn1
InChIInChI=1S/C13H22N4O3/c1-10(12-4-3-6-20-12)15-13(18)16-11-8-14-17(9-11)5-7-19-2/h8-10,12H,3-7H2,1-2H3,(H2,15,16,18)/t10-,12-/m1/s1
InChIKeyZWHYMHHAHFFQHP-ZYHUDNBSSA-N
XLogP1.22
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoylamino]pyrazol-1-yl]acetamide
CID 95132232
(2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-4-methylpentanoic acid
CID 78976075
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(2R)-2-morpholin-4-ylpropyl]urea
CID 94095897
(2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid
CID 80756362
1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 6468062
N'-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-N-(1-propan-2-ylpyrazol-4-yl)oxamide
CID 95973999
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95568574
1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95568571
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 95130176
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-pyridin-3-ylethyl]urea
CID 95130177
1-(2-methoxyethyl)-6-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyridazine-3-carboxamide
CID 35245265

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea (CID 94031414) is 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea is COCCn1cc(NC(=O)N[C@H](C)[C@H]2CCCO2)cn1.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea?
The InChIKey is ZWHYMHHAHFFQHP-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-10(12-4-3-6-20-12)15-13(18)16-11-8-14-17(9-11)5-7-19-2/h8-10,12H,3-7H2,1-2H3,(H2,15,16,18)/t10-,12-/m1/s1.
What are the key properties of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea?
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea has a molecular weight of 282.34 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea is sourced from PubChem (CID 94031414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).