1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea

C24H24N6O2 — CID 90169245

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
SMILESCc1c(-c2cnn(C)c2)nn(-c2ccccc2)c1NC(=O)NC1CCOc2ccccc21
InChIInChI=1S/C24H24N6O2/c1-16-22(17-14-25-29(2)15-17)28-30(18-8-4-3-5-9-18)23(16)27-24(31)26-20-12-13-32-21-11-7-6-10-19(20)21/h3-11,14-15,20H,12-13H2,1-2H3,(H2,26,27,31)
InChIKeyPWRQRWULJWQASG-UHFFFAOYSA-N
MW428.50 g/mol
LogP4.23
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea

1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea (PubChem CID 90169245) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
PubChem CID90169245
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea
SMILESCc1c(-c2cnn(C)c2)nn(-c2ccccc2)c1NC(=O)NC1CCOc2ccccc21
InChIInChI=1S/C24H24N6O2/c1-16-22(17-14-25-29(2)15-17)28-30(18-8-4-3-5-9-18)23(16)27-24(31)26-20-12-13-32-21-11-7-6-10-19(20)21/h3-11,14-15,20H,12-13H2,1-2H3,(H2,26,27,31)
InChIKeyPWRQRWULJWQASG-UHFFFAOYSA-N
XLogP4.23
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea (CID 90169245) is 1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea is Cc1c(-c2cnn(C)c2)nn(-c2ccccc2)c1NC(=O)NC1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea?
The InChIKey is PWRQRWULJWQASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-16-22(17-14-25-29(2)15-17)28-30(18-8-4-3-5-9-18)23(16)27-24(31)26-20-12-13-32-21-11-7-6-10-19(20)21/h3-11,14-15,20H,12-13H2,1-2H3,(H2,26,27,31).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea?
1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea has a molecular weight of 428.50 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-3-[4-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpyrazol-5-yl]urea is sourced from PubChem (CID 90169245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).