1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(4-methoxyphenyl)urea

C22H24N4O2 — CID 118715837

IUPAC1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(C3CC3C)nn2Cc2ccccc2)cc1
InChIInChI=1S/C22H24N4O2/c1-15-12-19(15)20-13-21(26(25-20)14-16-6-4-3-5-7-16)24-22(27)23-17-8-10-18(28-2)11-9-17/h3-11,13,15,19H,12,14H2,1-2H3,(H2,23,24,27)
InChIKeySYTFCMROCOQUQX-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.71
Rot. Bonds6

About 1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(4-methoxyphenyl)urea

1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(4-methoxyphenyl)urea (PubChem CID 118715837) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(4-methoxyphenyl)urea
PubChem CID118715837
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(C3CC3C)nn2Cc2ccccc2)cc1
InChIInChI=1S/C22H24N4O2/c1-15-12-19(15)20-13-21(26(25-20)14-16-6-4-3-5-7-16)24-22(27)23-17-8-10-18(28-2)11-9-17/h3-11,13,15,19H,12,14H2,1-2H3,(H2,23,24,27)
InChIKeySYTFCMROCOQUQX-UHFFFAOYSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(4-methoxyphenyl)urea (CID 118715837) is 1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2cc(C3CC3C)nn2Cc2ccccc2)cc1.
What is the InChIKey of 1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(4-methoxyphenyl)urea?
The InChIKey is SYTFCMROCOQUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-12-19(15)20-13-21(26(25-20)14-16-6-4-3-5-7-16)24-22(27)23-17-8-10-18(28-2)11-9-17/h3-11,13,15,19H,12,14H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(4-methoxyphenyl)urea?
1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(4-methoxyphenyl)urea has a molecular weight of 376.46 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-benzyl-3-(2-methylcyclopropyl)pyrazol-5-yl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 118715837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).