1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea

C17H18N4O2S — CID 97317620

IUPAC1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
SMILESO=C(NCc1ccccc1-n1cccn1)NC[C@@H](O)c1cccs1
InChIInChI=1S/C17H18N4O2S/c22-15(16-7-3-10-24-16)12-19-17(23)18-11-13-5-1-2-6-14(13)21-9-4-8-20-21/h1-10,15,22H,11-12H2,(H2,18,19,23)/t15-/m1/s1
InChIKeyCVOZTCZXSCFSFA-OAHLLOKOSA-N
MW342.42 g/mol
LogP2.47
Rot. Bonds6

About 1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea

1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea (PubChem CID 97317620) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
PubChem CID97317620
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
SMILESO=C(NCc1ccccc1-n1cccn1)NC[C@@H](O)c1cccs1
InChIInChI=1S/C17H18N4O2S/c22-15(16-7-3-10-24-16)12-19-17(23)18-11-13-5-1-2-6-14(13)21-9-4-8-20-21/h1-10,15,22H,11-12H2,(H2,18,19,23)/t15-/m1/s1
InChIKeyCVOZTCZXSCFSFA-OAHLLOKOSA-N
XLogP2.47
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-pyrazol-1-ylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 61166529
2-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 62854534
1-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-3-ylmethyl)urea
CID 95774033
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-thiophen-2-ylethyl)urea
CID 71782525
1-[(4-chlorophenyl)methyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]urea
CID 95983552
4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 61166353
tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
CID 63789237
2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 81089680
2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
CID 61165757
4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 81087122
2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 116677047
1-(2-hydroxy-2-thiophen-2-ylethyl)-3-prop-2-enylurea
CID 90500385

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea?
The IUPAC name of 1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea (CID 97317620) is 1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea is O=C(NCc1ccccc1-n1cccn1)NC[C@@H](O)c1cccs1.
What is the InChIKey of 1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea?
The InChIKey is CVOZTCZXSCFSFA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-15(16-7-3-10-24-16)12-19-17(23)18-11-13-5-1-2-6-14(13)21-9-4-8-20-21/h1-10,15,22H,11-12H2,(H2,18,19,23)/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea?
1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea has a molecular weight of 342.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea is sourced from PubChem (CID 97317620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).