1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea

C22H24N4O — CID 55793583

IUPAC1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C22H24N4O/c27-22(25(20-11-12-20)16-18-7-3-1-4-8-18)23-14-13-19-15-24-26(17-19)21-9-5-2-6-10-21/h1-10,15,17,20H,11-14,16H2,(H,23,27)
InChIKeyRQRGQLITBCYMAM-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.79
Rot. Bonds7

About 1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea

1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea (PubChem CID 55793583) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
PubChem CID55793583
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C22H24N4O/c27-22(25(20-11-12-20)16-18-7-3-1-4-8-18)23-14-13-19-15-24-26(17-19)21-9-5-2-6-10-21/h1-10,15,17,20H,11-14,16H2,(H,23,27)
InChIKeyRQRGQLITBCYMAM-UHFFFAOYSA-N
XLogP3.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 87018108
(E)-N-benzyl-N-cyclopropyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 38271246
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245
3-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 131904380
N-cyclopropyl-3-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 131928132
1-cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]urea
CID 119060843
1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide
CID 72864530
2-(3-hydroxypiperidin-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 110884110
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714
1-benzyl-1-cyclopropyl-3-ethylurea
CID 127578302

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea (CID 55793583) is 1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea is O=C(NCCc1cnn(-c2ccccc2)c1)N(Cc1ccccc1)C1CC1.
What is the InChIKey of 1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea?
The InChIKey is RQRGQLITBCYMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(25(20-11-12-20)16-18-7-3-1-4-8-18)23-14-13-19-15-24-26(17-19)21-9-5-2-6-10-21/h1-10,15,17,20H,11-14,16H2,(H,23,27).
What are the key properties of 1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea?
1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea has a molecular weight of 360.46 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 55793583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).