1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-methylphenyl)urea

C22H24N4O3 — CID 42687455

IUPAC1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-methylphenyl)urea
SMILESCOc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)Nc2ccccc2C)c(OC)c1
InChIInChI=1S/C22H24N4O3/c1-13-6-4-5-7-17(13)23-22(27)24-21-19(14-8-9-14)25-26-20(21)16-11-10-15(28-2)12-18(16)29-3/h4-7,10-12,14H,8-9H2,1-3H3,(H,25,26)(H2,23,24,27)
InChIKeySXJYFSPAKGBARJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.92
Rot. Bonds6

About 1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-methylphenyl)urea

1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-methylphenyl)urea (PubChem CID 42687455) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-methylphenyl)urea
PubChem CID42687455
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-methylphenyl)urea
SMILESCOc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)Nc2ccccc2C)c(OC)c1
InChIInChI=1S/C22H24N4O3/c1-13-6-4-5-7-17(13)23-22(27)24-21-19(14-8-9-14)25-26-20(21)16-11-10-15(28-2)12-18(16)29-3/h4-7,10-12,14H,8-9H2,1-3H3,(H,25,26)(H2,23,24,27)
InChIKeySXJYFSPAKGBARJ-UHFFFAOYSA-N
XLogP4.92
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]urea
CID 42687445
1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea
CID 42687451
N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42874188
3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide
CID 42686831
N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3,4-dimethoxybenzamide
CID 42874460
N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42686795
N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide
CID 42686789
1-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]-3-(3-fluorophenyl)urea
CID 42874376
N-[3-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]thiophene-2-carboxamide
CID 42686773
N-(2,4-dimethoxyphenyl)-2,2-dimethyl-N'-(2-methylphenyl)propanediamide
CID 108967272
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide
CID 42685754
4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049315

Frequently Asked Questions

What is the IUPAC name of 1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-methylphenyl)urea (CID 42687455) is 1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-methylphenyl)urea is COc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)Nc2ccccc2C)c(OC)c1.
What is the InChIKey of 1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-methylphenyl)urea?
The InChIKey is SXJYFSPAKGBARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-13-6-4-5-7-17(13)23-22(27)24-21-19(14-8-9-14)25-26-20(21)16-11-10-15(28-2)12-18(16)29-3/h4-7,10-12,14H,8-9H2,1-3H3,(H,25,26)(H2,23,24,27).
What are the key properties of 1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-methylphenyl)urea?
1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-methylphenyl)urea has a molecular weight of 392.46 g/mol, XLogP of 4.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 42687455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).