1-[4-cyano-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-phenylurea

C19H17N5O2 — CID 16747980

IUPAC1-[4-cyano-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-phenylurea
SMILESN#Cc1cnn(CC(O)c2ccccc2)c1NC(=O)Nc1ccccc1
InChIInChI=1S/C19H17N5O2/c20-11-15-12-21-24(13-17(25)14-7-3-1-4-8-14)18(15)23-19(26)22-16-9-5-2-6-10-16/h1-10,12,17,25H,13H2,(H2,22,23,26)
InChIKeyUZZWRMRXHXBXPU-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.13
Rot. Bonds5

About 1-[4-cyano-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-phenylurea

1-[4-cyano-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-phenylurea (PubChem CID 16747980) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 1-[4-cyano-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-cyano-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-phenylurea
PubChem CID16747980
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name1-[4-cyano-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-phenylurea
SMILESN#Cc1cnn(CC(O)c2ccccc2)c1NC(=O)Nc1ccccc1
InChIInChI=1S/C19H17N5O2/c20-11-15-12-21-24(13-17(25)14-7-3-1-4-8-14)18(15)23-19(26)22-16-9-5-2-6-10-16/h1-10,12,17,25H,13H2,(H2,22,23,26)
InChIKeyUZZWRMRXHXBXPU-UHFFFAOYSA-N
XLogP3.13
TPSA102.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 1-(2-hydroxy-2-phenylethyl)-5-(phenylcarbamoylamino)pyrazole-4-carboxylate
CID 16747858
1-[2-(2-Hydroxy-2-phenylethyl)pyrazol-3-yl]-3-propan-2-ylurea
CID 16747859
Ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
CID 16747981
Ethyl 1-(2-hydroxy-2-phenylethyl)-5-[(4-methylphenyl)carbamoylamino]pyrazole-4-carboxylate
CID 16747984
1-[4-Cyano-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-propan-2-ylurea
CID 16749344
Ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
CID 16749449
Ethyl 5-[(4-fluorophenyl)carbamoylamino]-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
CID 16749450
Ethyl 1-(2-hydroxy-2-phenylethyl)-5-[(3-methylphenyl)carbamoylamino]pyrazole-4-carboxylate
CID 16749453
5-amino-N-(2-hydroxy-2-phenylethyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 60157872
1-[3-Tert-butyl-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-(2-fluorophenyl)urea
CID 137637081
1-[3-Tert-butyl-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 137641438
1-[3-Tert-butyl-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-(3-fluorophenyl)urea
CID 137645323

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-phenylurea?
The IUPAC name of 1-[4-cyano-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-phenylurea (CID 16747980) is 1-[4-cyano-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-phenylurea.
What is the SMILES notation for 1-[4-cyano-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-phenylurea?
The canonical SMILES for 1-[4-cyano-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-phenylurea is N#Cc1cnn(CC(O)c2ccccc2)c1NC(=O)Nc1ccccc1.
What is the InChIKey of 1-[4-cyano-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-phenylurea?
The InChIKey is UZZWRMRXHXBXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c20-11-15-12-21-24(13-17(25)14-7-3-1-4-8-14)18(15)23-19(26)22-16-9-5-2-6-10-16/h1-10,12,17,25H,13H2,(H2,22,23,26).
What are the key properties of 1-[4-cyano-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-phenylurea?
1-[4-cyano-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-phenylurea has a molecular weight of 347.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyano-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-phenylurea is sourced from PubChem (CID 16747980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).