1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea

C20H20N6O2 — CID 167942897

IUPAC1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea
SMILESCc1cc(C)n(-c2ccccc2NC(=O)Nc2cc(-c3ccc(C)o3)[nH]n2)n1
InChIInChI=1S/C20H20N6O2/c1-12-10-13(2)26(25-12)17-7-5-4-6-15(17)21-20(27)22-19-11-16(23-24-19)18-9-8-14(3)28-18/h4-11H,1-3H3,(H3,21,22,23,24,27)
InChIKeyLLLNWFFIZHSXNV-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.42
Rot. Bonds4

About 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea

1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea (PubChem CID 167942897) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea
PubChem CID167942897
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea
SMILESCc1cc(C)n(-c2ccccc2NC(=O)Nc2cc(-c3ccc(C)o3)[nH]n2)n1
InChIInChI=1S/C20H20N6O2/c1-12-10-13(2)26(25-12)17-7-5-4-6-15(17)21-20(27)22-19-11-16(23-24-19)18-9-8-14(3)28-18/h4-11H,1-3H3,(H3,21,22,23,24,27)
InChIKeyLLLNWFFIZHSXNV-UHFFFAOYSA-N
XLogP4.42
TPSA100.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336833
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 146123246
2-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-N-ethylacetamide
CID 86988542
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 52847994
1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[(2R)-2-hydroxypentyl]urea
CID 95630447
2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide
CID 43074030
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 119286230
N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 146145690
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 43074025
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754558
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide
CID 38760630
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 43074055

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea?
The IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea (CID 167942897) is 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea.
What is the SMILES notation for 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea?
The canonical SMILES for 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea is Cc1cc(C)n(-c2ccccc2NC(=O)Nc2cc(-c3ccc(C)o3)[nH]n2)n1.
What is the InChIKey of 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea?
The InChIKey is LLLNWFFIZHSXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-12-10-13(2)26(25-12)17-7-5-4-6-15(17)21-20(27)22-19-11-16(23-24-19)18-9-8-14(3)28-18/h4-11H,1-3H3,(H3,21,22,23,24,27).
What are the key properties of 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea?
1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea has a molecular weight of 376.42 g/mol, XLogP of 4.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea is sourced from PubChem (CID 167942897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).