1-(2-bromoprop-2-enyl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea

C12H17BrN4O2 — CID 91650052

IUPAC1-(2-bromoprop-2-enyl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
SMILESC=C(Br)CNC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1
InChIInChI=1S/C12H17BrN4O2/c1-8(13)5-14-12(18)16-10-3-4-19-11(10)9-6-15-17(2)7-9/h6-7,10-11H,1,3-5H2,2H3,(H2,14,16,18)/t10-,11+/m0/s1
InChIKeyHDWKHUNMDAQENV-WDEREUQCSA-N
MW329.20 g/mol
LogP1.46
Rot. Bonds4

About 1-(2-bromoprop-2-enyl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea

1-(2-bromoprop-2-enyl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea (PubChem CID 91650052) has the molecular formula C12H17BrN4O2 and a molecular weight of 329.20 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
PubChem CID91650052
Molecular FormulaC12H17BrN4O2
Molecular Weight329.20 g/mol
Exact Mass328.05
IUPAC Name1-(2-bromoprop-2-enyl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea
SMILESC=C(Br)CNC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1
InChIInChI=1S/C12H17BrN4O2/c1-8(13)5-14-12(18)16-10-3-4-19-11(10)9-6-15-17(2)7-9/h6-7,10-11H,1,3-5H2,2H3,(H2,14,16,18)/t10-,11+/m0/s1
InChIKeyHDWKHUNMDAQENV-WDEREUQCSA-N
XLogP1.46
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-bromoprop-2-enyl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Furanamine, tetrahydro-2-(1-methyl-1H-pyrazol-4-yl)-, (2S,3R)-
CID 121553712
rac-(2R,3S)-2-[1-(propan-2-yl)-1H-pyrazol-4-yl]oxolan-3-amine dihydrochloride
CID 122155807
rac-(2R,3S)-2-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]oxolan-3-amine dihydrochloride
CID 122164099
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(6-oxaspiro[2.5]octan-2-yl)urea
CID 164631338
1-[1-(4-fluorocyclohexyl)ethyl]-3-[(2R,3S)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea
CID 164640819
1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]urea
CID 129475288
rac-(2R,3S)-2-[1-(propan-2-yl)-1H-pyrazol-4-yl]oxolan-3-amine
CID 122155808
N-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 128914803
1-[1-(4-fluorocyclohexyl)ethyl]-3-[(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-yl]urea
CID 132368969
(2R,3S)-N-[(3,3-difluorocyclobutyl)methyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolan-3-amine
CID 154796838
1-[2-(1-Methylpyrazol-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 51084749
1-Hexoxy-1-(1-methylpyrazol-4-yl)propan-2-amine
CID 61627567

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea?
The IUPAC name of 1-(2-bromoprop-2-enyl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea (CID 91650052) is 1-(2-bromoprop-2-enyl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea is C=C(Br)CNC(=O)N[C@H]1CCO[C@@H]1c1cnn(C)c1.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea?
The InChIKey is HDWKHUNMDAQENV-WDEREUQCSA-N. The full InChI is InChI=1S/C12H17BrN4O2/c1-8(13)5-14-12(18)16-10-3-4-19-11(10)9-6-15-17(2)7-9/h6-7,10-11H,1,3-5H2,2H3,(H2,14,16,18)/t10-,11+/m0/s1.
What are the key properties of 1-(2-bromoprop-2-enyl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea?
1-(2-bromoprop-2-enyl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea has a molecular weight of 329.20 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]urea is sourced from PubChem (CID 91650052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).