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

C17H27N5O2 — CID 86817438

IUPAC1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(1-prop-2-enylpiperidin-4-yl)urea
SMILESC=CCN1CCC(NC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)CC1
InChIInChI=1S/C17H27N5O2/c1-3-7-22-8-4-14(5-9-22)19-17(23)20-15-6-10-24-16(15)13-11-18-21(2)12-13/h3,11-12,14-16H,1,4-10H2,2H3,(H2,19,20,23)/t15-,16+/m0/s1
InChIKeyFYWRKWVHUXHJQW-JKSUJKDBSA-N
MW333.44 g/mol
LogP1.20
Rot. Bonds5

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

1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(1-prop-2-enylpiperidin-4-yl)urea (PubChem CID 86817438) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(1-prop-2-enylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(1-prop-2-enylpiperidin-4-yl)urea
PubChem CID86817438
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(1-prop-2-enylpiperidin-4-yl)urea
SMILESC=CCN1CCC(NC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)CC1
InChIInChI=1S/C17H27N5O2/c1-3-7-22-8-4-14(5-9-22)19-17(23)20-15-6-10-24-16(15)13-11-18-21(2)12-13/h3,11-12,14-16H,1,4-10H2,2H3,(H2,19,20,23)/t15-,16+/m0/s1
InChIKeyFYWRKWVHUXHJQW-JKSUJKDBSA-N
XLogP1.20
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(1-prop-2-enylpiperidin-4-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

(2S,3S)-N-cyclopropyl-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97392012
rac-(2R,3S)-2-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]oxolan-3-amine dihydrochloride
CID 122164099
1-[[(2R,3R)-4-methyl-3-(1-methylpyrazol-4-yl)morpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]urea
CID 164629792
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
N-(2,2-dimethyloxolan-3-yl)-4-(1-ethylpyrazol-4-yl)piperidine-1-carboxamide
CID 128686364
3-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]-1-morpholin-4-ylbutan-1-one
CID 129007161
1-[(1R)-1-cyclopropyl-2-methoxyethyl]-3-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]urea
CID 129475288
(2R)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide
CID 99829743
(2S)-2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide
CID 99829744
2-(1-ethylpyrazol-4-yl)-N-(3-fluoropropyl)morpholine-4-carboxamide
CID 121517809
rac-(2R,3S)-2-[1-(propan-2-yl)-1H-pyrazol-4-yl]oxolan-3-amine
CID 122155808

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(1-prop-2-enylpiperidin-4-yl)urea?
The IUPAC name of 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(1-prop-2-enylpiperidin-4-yl)urea (CID 86817438) is 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(1-prop-2-enylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(1-prop-2-enylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(1-prop-2-enylpiperidin-4-yl)urea is C=CCN1CCC(NC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2)CC1.
What is the InChIKey of 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(1-prop-2-enylpiperidin-4-yl)urea?
The InChIKey is FYWRKWVHUXHJQW-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-3-7-22-8-4-14(5-9-22)19-17(23)20-15-6-10-24-16(15)13-11-18-21(2)12-13/h3,11-12,14-16H,1,4-10H2,2H3,(H2,19,20,23)/t15-,16+/m0/s1.
What are the key properties of 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(1-prop-2-enylpiperidin-4-yl)urea?
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(1-prop-2-enylpiperidin-4-yl)urea has a molecular weight of 333.44 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-(1-prop-2-enylpiperidin-4-yl)urea is sourced from PubChem (CID 86817438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).