1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-[3-(5-methylpyrazol-1-yl)phenyl]urea

C22H24N4O2 — CID 56554718

IUPAC1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-[3-(5-methylpyrazol-1-yl)phenyl]urea
SMILESCOc1ccc(C(NC(=O)Nc2cccc(-n3nccc3C)c2)C2CC2)cc1
InChIInChI=1S/C22H24N4O2/c1-15-12-13-23-26(15)19-5-3-4-18(14-19)24-22(27)25-21(16-6-7-16)17-8-10-20(28-2)11-9-17/h3-5,8-14,16,21H,6-7H2,1-2H3,(H2,24,25,27)
InChIKeyNLABOFFODLTHLF-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.46
Rot. Bonds6

About 1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-[3-(5-methylpyrazol-1-yl)phenyl]urea

1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-[3-(5-methylpyrazol-1-yl)phenyl]urea (PubChem CID 56554718) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-[3-(5-methylpyrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-[3-(5-methylpyrazol-1-yl)phenyl]urea
PubChem CID56554718
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-[3-(5-methylpyrazol-1-yl)phenyl]urea
SMILESCOc1ccc(C(NC(=O)Nc2cccc(-n3nccc3C)c2)C2CC2)cc1
InChIInChI=1S/C22H24N4O2/c1-15-12-13-23-26(15)19-5-3-4-18(14-19)24-22(27)25-21(16-6-7-16)17-8-10-20(28-2)11-9-17/h3-5,8-14,16,21H,6-7H2,1-2H3,(H2,24,25,27)
InChIKeyNLABOFFODLTHLF-UHFFFAOYSA-N
XLogP4.46
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 47015352
(3R)-1-(3-methoxyphenyl)-N-[3-(5-methylpyrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 52537693
1-[3-(5-methylpyrazol-1-yl)phenyl]-3-[[4-(propan-2-yloxymethyl)phenyl]methyl]urea
CID 56554558
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 51945239
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 55470366
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
CID 46566275
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline
CID 43765565
4-acetyl-N-[3-(5-methylpyrazol-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 51101782
1-[3-(4-fluorophenyl)sulfanylpropyl]-3-[3-(5-methylpyrazol-1-yl)phenyl]urea
CID 56554465
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111113849

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-[3-(5-methylpyrazol-1-yl)phenyl]urea?
The IUPAC name of 1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-[3-(5-methylpyrazol-1-yl)phenyl]urea (CID 56554718) is 1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-[3-(5-methylpyrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-[3-(5-methylpyrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-[3-(5-methylpyrazol-1-yl)phenyl]urea is COc1ccc(C(NC(=O)Nc2cccc(-n3nccc3C)c2)C2CC2)cc1.
What is the InChIKey of 1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-[3-(5-methylpyrazol-1-yl)phenyl]urea?
The InChIKey is NLABOFFODLTHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-12-13-23-26(15)19-5-3-4-18(14-19)24-22(27)25-21(16-6-7-16)17-8-10-20(28-2)11-9-17/h3-5,8-14,16,21H,6-7H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-[3-(5-methylpyrazol-1-yl)phenyl]urea?
1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-[3-(5-methylpyrazol-1-yl)phenyl]urea has a molecular weight of 376.46 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-[3-(5-methylpyrazol-1-yl)phenyl]urea is sourced from PubChem (CID 56554718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).