1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea

C24H28N4O2 — CID 95157995

IUPAC1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
SMILESC[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc(OCCn2cccn2)c1
InChIInChI=1S/C24H28N4O2/c1-19(21-11-12-21)28(18-20-7-3-2-4-8-20)24(29)26-22-9-5-10-23(17-22)30-16-15-27-14-6-13-25-27/h2-10,13-14,17,19,21H,11-12,15-16,18H2,1H3,(H,26,29)/t19-/m1/s1
InChIKeyOWPTWAFOOCBKOB-LJQANCHMSA-N
MW404.51 g/mol
LogP4.79
Rot. Bonds9

About 1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea

1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea (PubChem CID 95157995) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea.

Molecular Properties

Compound Name1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
PubChem CID95157995
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
SMILESC[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc(OCCn2cccn2)c1
InChIInChI=1S/C24H28N4O2/c1-19(21-11-12-21)28(18-20-7-3-2-4-8-20)24(29)26-22-9-5-10-23(17-22)30-16-15-27-14-6-13-25-27/h2-10,13-14,17,19,21H,11-12,15-16,18H2,1H3,(H,26,29)/t19-/m1/s1
InChIKeyOWPTWAFOOCBKOB-LJQANCHMSA-N
XLogP4.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55632381
4-phenyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55767479
N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide
CID 87039258
1-benzyl-1-(1-cyclopropylethyl)-3-(3-nitrophenyl)urea
CID 560931
2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
CID 55880460
N-(2,2-dimethyl-3-phenylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide
CID 86967474
2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide
CID 55833259
1-benzyl-3-(4-chlorophenyl)-1-(1-cyclopropylethyl)urea
CID 550184
1-benzyl-1-(1-cyclopropylethyl)-3-(1-propan-2-yltriazol-4-yl)urea
CID 166280977
2-fluoro-N-[3-methyl-1-oxo-1-[3-(2-pyrazol-1-ylethoxy)anilino]butan-2-yl]benzamide
CID 55767418
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 78893656
1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 55835952

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea?
The IUPAC name of 1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea (CID 95157995) is 1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea.
What is the SMILES notation for 1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea?
The canonical SMILES for 1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea is C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1cccc(OCCn2cccn2)c1.
What is the InChIKey of 1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea?
The InChIKey is OWPTWAFOOCBKOB-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-19(21-11-12-21)28(18-20-7-3-2-4-8-20)24(29)26-22-9-5-10-23(17-22)30-16-15-27-14-6-13-25-27/h2-10,13-14,17,19,21H,11-12,15-16,18H2,1H3,(H,26,29)/t19-/m1/s1.
What are the key properties of 1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea?
1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea has a molecular weight of 404.51 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea is sourced from PubChem (CID 95157995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).