1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea

C20H20N4O2 — CID 11537561

IUPAC1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1
InChIInChI=1S/C20H20N4O2/c1-26-17-11-9-15(10-12-17)21-20(25)22-19-13-18(14-7-8-14)23-24(19)16-5-3-2-4-6-16/h2-6,9-14H,7-8H2,1H3,(H2,21,22,25)
InChIKeyQWKLUYFYFHOSKM-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.40
Rot. Bonds5

About 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea

1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea (PubChem CID 11537561) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea
PubChem CID11537561
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1
InChIInChI=1S/C20H20N4O2/c1-26-17-11-9-15(10-12-17)21-20(25)22-19-13-18(14-7-8-14)23-24(19)16-5-3-2-4-6-16/h2-6,9-14H,7-8H2,1H3,(H2,21,22,25)
InChIKeyQWKLUYFYFHOSKM-UHFFFAOYSA-N
XLogP4.40
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea (CID 11537561) is 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1.
What is the InChIKey of 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea?
The InChIKey is QWKLUYFYFHOSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-26-17-11-9-15(10-12-17)21-20(25)22-19-13-18(14-7-8-14)23-24(19)16-5-3-2-4-6-16/h2-6,9-14H,7-8H2,1H3,(H2,21,22,25).
What are the key properties of 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea?
1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea has a molecular weight of 348.41 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1-phenylpyrazol-5-yl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 11537561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).