1-cyclopropyl-1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea

C20H28N4O2 — CID 118766628

IUPAC1-cyclopropyl-1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea
SMILESCCOc1ccccc1CN(C(=O)Nc1ccnn1CC(C)C)C1CC1
InChIInChI=1S/C20H28N4O2/c1-4-26-18-8-6-5-7-16(18)14-23(17-9-10-17)20(25)22-19-11-12-21-24(19)13-15(2)3/h5-8,11-12,15,17H,4,9-10,13-14H2,1-3H3,(H,22,25)
InChIKeyHHQFLURKBOPJTR-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.13
Rot. Bonds8

About 1-cyclopropyl-1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea

1-cyclopropyl-1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea (PubChem CID 118766628) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea
PubChem CID118766628
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-cyclopropyl-1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea
SMILESCCOc1ccccc1CN(C(=O)Nc1ccnn1CC(C)C)C1CC1
InChIInChI=1S/C20H28N4O2/c1-4-26-18-8-6-5-7-16(18)14-23(17-9-10-17)20(25)22-19-11-12-21-24(19)13-15(2)3/h5-8,11-12,15,17H,4,9-10,13-14H2,1-3H3,(H,22,25)
InChIKeyHHQFLURKBOPJTR-UHFFFAOYSA-N
XLogP4.13
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 78772434
3-[2,6-di(propan-2-yl)phenyl]-1-(4-phenylcyclohexyl)-1-[(2-phenylmethoxyphenyl)methyl]urea
CID 19935205
1-butyl-1-(2-hydroxyethyl)-3-[2-(2-methylpropyl)pyrazol-3-yl]urea
CID 47199691
3-[2-(2-methylpropyl)pyrazol-3-yl]-1-(oxolan-2-ylmethyl)-1-(3-phenylprop-2-enyl)urea
CID 91939927
(3S)-3-hydroxy-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 111102205
ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate
CID 61068925
2-(cyclopropylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 54873700
1-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-morpholin-4-ylpentyl)urea
CID 87038436
2-(2,6-dimethylphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
CID 35325113
2-(4-fluorophenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
CID 134026082
N-cyclopropyl-2-methyl-N-[(2-propoxyphenyl)methyl]pentanamide
CID 123421574
N-[2-(2-methylpropyl)pyrazol-3-yl]-3,4-dipropoxybenzamide
CID 134014296

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea?
The IUPAC name of 1-cyclopropyl-1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea (CID 118766628) is 1-cyclopropyl-1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-cyclopropyl-1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea is CCOc1ccccc1CN(C(=O)Nc1ccnn1CC(C)C)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea?
The InChIKey is HHQFLURKBOPJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-4-26-18-8-6-5-7-16(18)14-23(17-9-10-17)20(25)22-19-11-12-21-24(19)13-15(2)3/h5-8,11-12,15,17H,4,9-10,13-14H2,1-3H3,(H,22,25).
What are the key properties of 1-cyclopropyl-1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea?
1-cyclopropyl-1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea has a molecular weight of 356.47 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(2-ethoxyphenyl)methyl]-3-[2-(2-methylpropyl)pyrazol-3-yl]urea is sourced from PubChem (CID 118766628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).