1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[(3-hydroxy-1-phenylcyclobutyl)methyl]urea

C19H24N4O2 — CID 136585726

IUPAC1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[(3-hydroxy-1-phenylcyclobutyl)methyl]urea
SMILESCn1cc(NC(=O)NCC2(c3ccccc3)CC(O)C2)c(C2CC2)n1
InChIInChI=1S/C19H24N4O2/c1-23-11-16(17(22-23)13-7-8-13)21-18(25)20-12-19(9-15(24)10-19)14-5-3-2-4-6-14/h2-6,11,13,15,24H,7-10,12H2,1H3,(H2,20,21,25)
InChIKeyHCCSCQVVAWETQG-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.51
Rot. Bonds5

About 1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[(3-hydroxy-1-phenylcyclobutyl)methyl]urea

1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[(3-hydroxy-1-phenylcyclobutyl)methyl]urea (PubChem CID 136585726) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[(3-hydroxy-1-phenylcyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[(3-hydroxy-1-phenylcyclobutyl)methyl]urea
PubChem CID136585726
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[(3-hydroxy-1-phenylcyclobutyl)methyl]urea
SMILESCn1cc(NC(=O)NCC2(c3ccccc3)CC(O)C2)c(C2CC2)n1
InChIInChI=1S/C19H24N4O2/c1-23-11-16(17(22-23)13-7-8-13)21-18(25)20-12-19(9-15(24)10-19)14-5-3-2-4-6-14/h2-6,11,13,15,24H,7-10,12H2,1H3,(H2,20,21,25)
InChIKeyHCCSCQVVAWETQG-UHFFFAOYSA-N
XLogP2.51
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[(3-hydroxy-1-phenylcyclobutyl)methyl]urea with MolForge

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Related Compounds

3-[(2-bromophenyl)methyl]-N-(3-cyclopropyl-1-methylpyrazol-4-yl)azetidine-1-carboxamide
CID 136555091
1-(1-benzofuran-5-ylmethyl)-3-(3-cyclohexyl-1-methylpyrazol-4-yl)urea
CID 136553391
2-chloro-N-(3-cyclobutyl-1-methylpyrazol-4-yl)acetamide
CID 166410231
N-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 167856488
1-[(1-hydroxycyclopentyl)methyl]-3-(1-methyl-3-phenylpyrazol-4-yl)urea
CID 110017219
1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[2-(3,5-dichlorophenyl)-1-hydroxypropan-2-yl]urea
CID 166236169
3-[[(3-cyclopropyl-1-methylpyrazol-4-yl)amino]methyl]benzoic acid
CID 122034612
1-(2-methyltetrazol-5-yl)-3-[(4-phenyloxan-4-yl)methyl]urea
CID 138026038
N-(3-cyclopropyl-1-methylpyrazol-4-yl)-2,6-diethylmorpholine-4-carboxamide
CID 128858318
1-[(1-phenylcyclobutyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 113214970
1-[[4-(1H-benzimidazol-2-yl)cyclohexyl]methyl]-3-(1,3-dimethylpyrazol-4-yl)urea
CID 72904600
1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 14977491

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[(3-hydroxy-1-phenylcyclobutyl)methyl]urea?
The IUPAC name of 1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[(3-hydroxy-1-phenylcyclobutyl)methyl]urea (CID 136585726) is 1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[(3-hydroxy-1-phenylcyclobutyl)methyl]urea.
What is the SMILES notation for 1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[(3-hydroxy-1-phenylcyclobutyl)methyl]urea?
The canonical SMILES for 1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[(3-hydroxy-1-phenylcyclobutyl)methyl]urea is Cn1cc(NC(=O)NCC2(c3ccccc3)CC(O)C2)c(C2CC2)n1.
What is the InChIKey of 1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[(3-hydroxy-1-phenylcyclobutyl)methyl]urea?
The InChIKey is HCCSCQVVAWETQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-23-11-16(17(22-23)13-7-8-13)21-18(25)20-12-19(9-15(24)10-19)14-5-3-2-4-6-14/h2-6,11,13,15,24H,7-10,12H2,1H3,(H2,20,21,25).
What are the key properties of 1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[(3-hydroxy-1-phenylcyclobutyl)methyl]urea?
1-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-[(3-hydroxy-1-phenylcyclobutyl)methyl]urea has a molecular weight of 340.43 g/mol, XLogP of 2.51, 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-methylpyrazol-4-yl)-3-[(3-hydroxy-1-phenylcyclobutyl)methyl]urea is sourced from PubChem (CID 136585726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).