1-[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-hydroxyphenyl)methyl]urea

C21H22N4O2 — CID 59151936

IUPAC1-[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-hydroxyphenyl)methyl]urea
SMILESCc1ccc(-n2nc(C3CC3)cc2NC(=O)NCc2ccccc2O)cc1
InChIInChI=1S/C21H22N4O2/c1-14-6-10-17(11-7-14)25-20(12-18(24-25)15-8-9-15)23-21(27)22-13-16-4-2-3-5-19(16)26/h2-7,10-12,15,26H,8-9,13H2,1H3,(H2,22,23,27)
InChIKeyULEPBIMATJGHJS-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.09
Rot. Bonds5

About 1-[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-hydroxyphenyl)methyl]urea

1-[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-hydroxyphenyl)methyl]urea (PubChem CID 59151936) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-hydroxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-hydroxyphenyl)methyl]urea
PubChem CID59151936
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-hydroxyphenyl)methyl]urea
SMILESCc1ccc(-n2nc(C3CC3)cc2NC(=O)NCc2ccccc2O)cc1
InChIInChI=1S/C21H22N4O2/c1-14-6-10-17(11-7-14)25-20(12-18(24-25)15-8-9-15)23-21(27)22-13-16-4-2-3-5-19(16)26/h2-7,10-12,15,26H,8-9,13H2,1H3,(H2,22,23,27)
InChIKeyULEPBIMATJGHJS-UHFFFAOYSA-N
XLogP4.09
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamoylamino]-4-methylpentanoic acid
CID 122074917
2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
CID 2778369
1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]urea
CID 146122528
3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9292766
1-[(2-fluorophenyl)methyl]-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 71084765
N-[4-[4-[[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]-2-methoxyacetamide
CID 54589303
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[2-(difluoromethylsulfonyl)phenyl]acetamide
CID 146148119
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyphenyl]methyl]urea
CID 59151778
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 51111472
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide
CID 71943773
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[(1S,4R)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 122642809
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
CID 120771816

Frequently Asked Questions

What is the IUPAC name of 1-[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-hydroxyphenyl)methyl]urea?
The IUPAC name of 1-[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-hydroxyphenyl)methyl]urea (CID 59151936) is 1-[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-hydroxyphenyl)methyl]urea.
What is the SMILES notation for 1-[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-hydroxyphenyl)methyl]urea?
The canonical SMILES for 1-[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-hydroxyphenyl)methyl]urea is Cc1ccc(-n2nc(C3CC3)cc2NC(=O)NCc2ccccc2O)cc1.
What is the InChIKey of 1-[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-hydroxyphenyl)methyl]urea?
The InChIKey is ULEPBIMATJGHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-6-10-17(11-7-14)25-20(12-18(24-25)15-8-9-15)23-21(27)22-13-16-4-2-3-5-19(16)26/h2-7,10-12,15,26H,8-9,13H2,1H3,(H2,22,23,27).
What are the key properties of 1-[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-hydroxyphenyl)methyl]urea?
1-[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-hydroxyphenyl)methyl]urea has a molecular weight of 362.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclopropyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-hydroxyphenyl)methyl]urea is sourced from PubChem (CID 59151936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).