1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea

C19H28N4O2 — CID 111422275

IUPAC1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea
SMILESCC(C)n1nccc1NC(=O)NCC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H28N4O2/c1-13(2)23-17(10-11-21-23)22-18(25)20-12-16(24)14-6-8-15(9-7-14)19(3,4)5/h6-11,13,16,24H,12H2,1-5H3,(H2,20,22,25)
InChIKeyVNQSPCQCURZSCK-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.62
Rot. Bonds5

About 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea

1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea (PubChem CID 111422275) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea
PubChem CID111422275
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea
SMILESCC(C)n1nccc1NC(=O)NCC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H28N4O2/c1-13(2)23-17(10-11-21-23)22-18(25)20-12-16(24)14-6-8-15(9-7-14)19(3,4)5/h6-11,13,16,24H,12H2,1-5H3,(H2,20,22,25)
InChIKeyVNQSPCQCURZSCK-UHFFFAOYSA-N
XLogP3.62
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30182601
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea
CID 111422305
1-(4-tert-butylphenyl)-3-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]urea
CID 90582092
1-[(2S)-2-morpholin-4-yl-2-pyridin-4-ylethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 97281829
N-[(2R)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-pyrazol-1-ylpropanamide
CID 97227838
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide
CID 119792655
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide
CID 111422596
4-[[[2-(4-tert-butylphenyl)-2-hydroxyethyl]carbamoylamino]methyl]benzoic acid
CID 122021116
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]pyridine-2-carboxamide
CID 111422570
1-cyclopropyl-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 47198802
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 56792911
methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate
CID 115619372

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea?
The IUPAC name of 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea (CID 111422275) is 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea?
The canonical SMILES for 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea is CC(C)n1nccc1NC(=O)NCC(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea?
The InChIKey is VNQSPCQCURZSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13(2)23-17(10-11-21-23)22-18(25)20-12-16(24)14-6-8-15(9-7-14)19(3,4)5/h6-11,13,16,24H,12H2,1-5H3,(H2,20,22,25).
What are the key properties of 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea?
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea has a molecular weight of 344.46 g/mol, XLogP of 3.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea is sourced from PubChem (CID 111422275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).