1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea

C15H17FN4O2 — CID 94666591

IUPAC1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea
SMILESO=C(Nc1cn[nH]c1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1
InChIInChI=1S/C15H17FN4O2/c16-11-5-3-10(4-6-11)14(13-2-1-7-22-13)20-15(21)19-12-8-17-18-9-12/h3-6,8-9,13-14H,1-2,7H2,(H,17,18)(H2,19,20,21)/t13-,14+/m0/s1
InChIKeyLIECHBCVYSOIEL-UONOGXRCSA-N
MW304.33 g/mol
LogP2.59
Rot. Bonds4

About 1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea

1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea (PubChem CID 94666591) has the molecular formula C15H17FN4O2 and a molecular weight of 304.33 g/mol. Its IUPAC name is 1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea
PubChem CID94666591
Molecular FormulaC15H17FN4O2
Molecular Weight304.33 g/mol
Exact Mass304.13
IUPAC Name1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea
SMILESO=C(Nc1cn[nH]c1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1
InChIInChI=1S/C15H17FN4O2/c16-11-5-3-10(4-6-11)14(13-2-1-7-22-13)20-15(21)19-12-8-17-18-9-12/h3-6,8-9,13-14H,1-2,7H2,(H,17,18)(H2,19,20,21)/t13-,14+/m0/s1
InChIKeyLIECHBCVYSOIEL-UONOGXRCSA-N
XLogP2.59
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[(4-fluorophenyl)-(oxolan-2-yl)methyl]urea
CID 60544137
1-[(S)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-pyridin-2-ylurea
CID 94667001
1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea
CID 94666558
1-[(R)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94666979
1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 60542644
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 94633704
1-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1-methylpiperidin-4-yl)urea
CID 94666700
1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 75416372
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 75479531
1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-[[(3S)-oxan-3-yl]methyl]urea
CID 94337716
1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(furan-3-ylmethyl)urea
CID 94666581
N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 94633539

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea (CID 94666591) is 1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea is O=C(Nc1cn[nH]c1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1.
What is the InChIKey of 1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea?
The InChIKey is LIECHBCVYSOIEL-UONOGXRCSA-N. The full InChI is InChI=1S/C15H17FN4O2/c16-11-5-3-10(4-6-11)14(13-2-1-7-22-13)20-15(21)19-12-8-17-18-9-12/h3-6,8-9,13-14H,1-2,7H2,(H,17,18)(H2,19,20,21)/t13-,14+/m0/s1.
What are the key properties of 1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea?
1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea has a molecular weight of 304.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 94666591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).