1-[4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione

C17H18N4O2 — CID 167826358

IUPAC1-[4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione
SMILESCc1cc(-c2cc(C3CC3)[nH]n2)ccc1N1CCC(=O)NC1=O
InChIInChI=1S/C17H18N4O2/c1-10-8-12(14-9-13(19-20-14)11-2-3-11)4-5-15(10)21-7-6-16(22)18-17(21)23/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,19,20)(H,18,22,23)
InChIKeyQTVNGTBQFNNOFA-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.71
Rot. Bonds3

About 1-[4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione

1-[4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione (PubChem CID 167826358) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-[4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione
PubChem CID167826358
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-[4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione
SMILESCc1cc(-c2cc(C3CC3)[nH]n2)ccc1N1CCC(=O)NC1=O
InChIInChI=1S/C17H18N4O2/c1-10-8-12(14-9-13(19-20-14)11-2-3-11)4-5-15(10)21-7-6-16(22)18-17(21)23/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,19,20)(H,18,22,23)
InChIKeyQTVNGTBQFNNOFA-UHFFFAOYSA-N
XLogP2.71
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

1-[2-methyl-4-(1,2,3,4-tetrahydroisoquinolin-6-yl)phenyl]-1,3-diazinane-2,4-dione
CID 167775992
1-[2-methyl-4-(4-propan-2-yloxyphenyl)phenyl]-1,3-diazinane-2,4-dione
CID 167860720
1-[5-(4-cyclopropyl-1-methylpyrazol-5-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione
CID 167750829
1-methyl-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 58097390
1-(3-cyclopropyl-1,6-dimethylindol-5-yl)-1,3-diazinane-2,4-dione
CID 176562093
4-(5-cyclopropyl-1H-pyrazol-3-yl)benzoic acid
CID 122430192
1-(5-amino-2-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride
CID 171705611
1-(5-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione
CID 79777830
1-(2-methyl-5-propan-2-yl-3-pyridinyl)-1,3-diazinane-2,4-dione
CID 176558358
1-[4-[4-(hydroxymethyl)piperidin-1-yl]-3-methylphenyl]-1,3-diazinane-2,4-dione
CID 166948250
1-(1,6-dimethylindol-3-yl)-1,3-diazinane-2,4-dione
CID 154953984
5-cyclopropyl-3-thiophen-3-yl-1H-pyrazole
CID 172892736

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione (CID 167826358) is 1-[4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione is Cc1cc(-c2cc(C3CC3)[nH]n2)ccc1N1CCC(=O)NC1=O.
What is the InChIKey of 1-[4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione?
The InChIKey is QTVNGTBQFNNOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-10-8-12(14-9-13(19-20-14)11-2-3-11)4-5-15(10)21-7-6-16(22)18-17(21)23/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,19,20)(H,18,22,23).
What are the key properties of 1-[4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione?
1-[4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione has a molecular weight of 310.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylphenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167826358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).