1,3-bis(5-methyl-2-phenylpyrazol-3-yl)urea

C21H20N6O — CID 3240573

IUPAC1,3-bis(5-methyl-2-phenylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cc(C)nn2-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C21H20N6O/c1-15-13-19(26(24-15)17-9-5-3-6-10-17)22-21(28)23-20-14-16(2)25-27(20)18-11-7-4-8-12-18/h3-14H,1-2H3,(H2,22,23,28)
InChIKeyUKCHVVKOGKUXAD-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.32
Rot. Bonds4

About 1,3-bis(5-methyl-2-phenylpyrazol-3-yl)urea

1,3-bis(5-methyl-2-phenylpyrazol-3-yl)urea (PubChem CID 3240573) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 1,3-bis(5-methyl-2-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1,3-bis(5-methyl-2-phenylpyrazol-3-yl)urea
PubChem CID3240573
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name1,3-bis(5-methyl-2-phenylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)Nc2cc(C)nn2-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C21H20N6O/c1-15-13-19(26(24-15)17-9-5-3-6-10-17)22-21(28)23-20-14-16(2)25-27(20)18-11-7-4-8-12-18/h3-14H,1-2H3,(H2,22,23,28)
InChIKeyUKCHVVKOGKUXAD-UHFFFAOYSA-N
XLogP4.32
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-3-methyl-1-phenylpyrazole
CID 70801
ML297
CID 56642816
3-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-phenylurea
CID 736191
N-((3Z)-5-Tert-butyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)-N'-(4-chlorophenyl)urea
CID 656949
1-(1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl)-3-phenylurea
CID 10915062
methyl N-(5-methyl-1-phenyl-1H-pyrazol-3-yl)carbamate
CID 2726215
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-phenylurea
CID 10871761
Pyrazolourea, 1a
CID 25210518
N-(3-chlorophenyl)-N'-(3-methyl-1-phenyl-1H-pyrazol-5-yl)urea
CID 2815115
N-[4-(5-amino-1-phenylpyrazol-3-yl)phenyl]acetamide
CID 2118092
1-(2-Tert-butyl-5-methylpyrazol-3-yl)-3-phenylurea
CID 2818791
2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-N-phenylpyrazol-3-amine
CID 867936

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(5-methyl-2-phenylpyrazol-3-yl)urea?
The IUPAC name of 1,3-bis(5-methyl-2-phenylpyrazol-3-yl)urea (CID 3240573) is 1,3-bis(5-methyl-2-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1,3-bis(5-methyl-2-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1,3-bis(5-methyl-2-phenylpyrazol-3-yl)urea is Cc1cc(NC(=O)Nc2cc(C)nn2-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 1,3-bis(5-methyl-2-phenylpyrazol-3-yl)urea?
The InChIKey is UKCHVVKOGKUXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-15-13-19(26(24-15)17-9-5-3-6-10-17)22-21(28)23-20-14-16(2)25-27(20)18-11-7-4-8-12-18/h3-14H,1-2H3,(H2,22,23,28).
What are the key properties of 1,3-bis(5-methyl-2-phenylpyrazol-3-yl)urea?
1,3-bis(5-methyl-2-phenylpyrazol-3-yl)urea has a molecular weight of 372.43 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(5-methyl-2-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 3240573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).