1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea

C20H26N6O — CID 72868270

IUPAC1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea
SMILESCc1cc(C)n(CCCN(C)C(=O)Nc2cc(-c3ccccc3)nn2C)n1
InChIInChI=1S/C20H26N6O/c1-15-13-16(2)26(22-15)12-8-11-24(3)20(27)21-19-14-18(23-25(19)4)17-9-6-5-7-10-17/h5-7,9-10,13-14H,8,11-12H2,1-4H3,(H,21,27)
InChIKeyUZURIYWXMMCMEE-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.45
Rot. Bonds6

About 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea

1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea (PubChem CID 72868270) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea
PubChem CID72868270
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea
SMILESCc1cc(C)n(CCCN(C)C(=O)Nc2cc(-c3ccccc3)nn2C)n1
InChIInChI=1S/C20H26N6O/c1-15-13-16(2)26(22-15)12-8-11-24(3)20(27)21-19-14-18(23-25(19)4)17-9-6-5-7-10-17/h5-7,9-10,13-14H,8,11-12H2,1-4H3,(H,21,27)
InChIKeyUZURIYWXMMCMEE-UHFFFAOYSA-N
XLogP3.45
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea?
The IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea (CID 72868270) is 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea.
What is the SMILES notation for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea?
The canonical SMILES for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea is Cc1cc(C)n(CCCN(C)C(=O)Nc2cc(-c3ccccc3)nn2C)n1.
What is the InChIKey of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea?
The InChIKey is UZURIYWXMMCMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-15-13-16(2)26(22-15)12-8-11-24(3)20(27)21-19-14-18(23-25(19)4)17-9-6-5-7-10-17/h5-7,9-10,13-14H,8,11-12H2,1-4H3,(H,21,27).
What are the key properties of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea?
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea has a molecular weight of 366.47 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-5-yl)urea is sourced from PubChem (CID 72868270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).