1-[4-[(1S)-2-hydroxy-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(1H-pyrazol-5-yl)urea

C16H18N6O2 — CID 171801136

IUPAC1-[4-[(1S)-2-hydroxy-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(1H-pyrazol-5-yl)urea
SMILESCc1nccn1[C@H](CO)c1ccc(NC(=O)Nc2ccn[nH]2)cc1
InChIInChI=1S/C16H18N6O2/c1-11-17-8-9-22(11)14(10-23)12-2-4-13(5-3-12)19-16(24)20-15-6-7-18-21-15/h2-9,14,23H,10H2,1H3,(H3,18,19,20,21,24)/t14-/m1/s1
InChIKeyROWVYDZJQVTACE-CQSZACIVSA-N
MW326.36 g/mol
LogP2.14
Rot. Bonds5

About 1-[4-[(1S)-2-hydroxy-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(1H-pyrazol-5-yl)urea

1-[4-[(1S)-2-hydroxy-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(1H-pyrazol-5-yl)urea (PubChem CID 171801136) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-[4-[(1S)-2-hydroxy-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(1H-pyrazol-5-yl)urea.

Molecular Properties

Compound Name1-[4-[(1S)-2-hydroxy-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(1H-pyrazol-5-yl)urea
PubChem CID171801136
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name1-[4-[(1S)-2-hydroxy-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(1H-pyrazol-5-yl)urea
SMILESCc1nccn1[C@H](CO)c1ccc(NC(=O)Nc2ccn[nH]2)cc1
InChIInChI=1S/C16H18N6O2/c1-11-17-8-9-22(11)14(10-23)12-2-4-13(5-3-12)19-16(24)20-15-6-7-18-21-15/h2-9,14,23H,10H2,1H3,(H3,18,19,20,21,24)/t14-/m1/s1
InChIKeyROWVYDZJQVTACE-CQSZACIVSA-N
XLogP2.14
TPSA107.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-3-(1H-pyrazol-5-yl)urea
CID 61394391
1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-[(1R)-1-(1H-pyrazol-5-yl)ethyl]urea
CID 171801089
1-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-3-(1H-pyrazol-5-yl)urea
CID 166226370
1-[(4-chlorophenyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
CID 171801414
1-[(5-fluoro-2-pyridinyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
CID 171801368
1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(pyridazin-3-ylmethyl)urea
CID 171801159
1-[(4-fluoro-2-pyridinyl)methyl]-3-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
CID 171801164
phenyl N-[4-[1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate
CID 171801207
phenyl N-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate
CID 171801428
1-(4-methyl-1H-indazol-6-yl)-3-(1H-pyrazol-5-yl)urea
CID 166226374
1-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea
CID 129359337
N-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-pyridin-2-ylpropanamide
CID 171801254

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-2-hydroxy-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(1H-pyrazol-5-yl)urea?
The IUPAC name of 1-[4-[(1S)-2-hydroxy-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(1H-pyrazol-5-yl)urea (CID 171801136) is 1-[4-[(1S)-2-hydroxy-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(1H-pyrazol-5-yl)urea.
What is the SMILES notation for 1-[4-[(1S)-2-hydroxy-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(1H-pyrazol-5-yl)urea?
The canonical SMILES for 1-[4-[(1S)-2-hydroxy-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(1H-pyrazol-5-yl)urea is Cc1nccn1[C@H](CO)c1ccc(NC(=O)Nc2ccn[nH]2)cc1.
What is the InChIKey of 1-[4-[(1S)-2-hydroxy-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(1H-pyrazol-5-yl)urea?
The InChIKey is ROWVYDZJQVTACE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-11-17-8-9-22(11)14(10-23)12-2-4-13(5-3-12)19-16(24)20-15-6-7-18-21-15/h2-9,14,23H,10H2,1H3,(H3,18,19,20,21,24)/t14-/m1/s1.
What are the key properties of 1-[4-[(1S)-2-hydroxy-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(1H-pyrazol-5-yl)urea?
1-[4-[(1S)-2-hydroxy-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(1H-pyrazol-5-yl)urea has a molecular weight of 326.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S)-2-hydroxy-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(1H-pyrazol-5-yl)urea is sourced from PubChem (CID 171801136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).