[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(1H-pyrazol-4-yl)methanone

C16H18N4O — CID 122143241

IUPAC[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCN(CC2CC2)c2ccccc21
InChIInChI=1S/C16H18N4O/c21-16(13-9-17-18-10-13)20-8-7-19(11-12-5-6-12)14-3-1-2-4-15(14)20/h1-4,9-10,12H,5-8,11H2,(H,17,18)
InChIKeyFMKCLRGZJNIZSG-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.29
Rot. Bonds3

About [4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(1H-pyrazol-4-yl)methanone

[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 122143241) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is [4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID122143241
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCN(CC2CC2)c2ccccc21
InChIInChI=1S/C16H18N4O/c21-16(13-9-17-18-10-13)20-8-7-19(11-12-5-6-12)14-3-1-2-4-15(14)20/h1-4,9-10,12H,5-8,11H2,(H,17,18)
InChIKeyFMKCLRGZJNIZSG-UHFFFAOYSA-N
XLogP2.29
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(1H-pyrazol-4-yl)methanone (CID 122143241) is [4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CCN(CC2CC2)c2ccccc21.
What is the InChIKey of [4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is FMKCLRGZJNIZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c21-16(13-9-17-18-10-13)20-8-7-19(11-12-5-6-12)14-3-1-2-4-15(14)20/h1-4,9-10,12H,5-8,11H2,(H,17,18).
What are the key properties of [4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(1H-pyrazol-4-yl)methanone?
[4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 282.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethyl)-2,3-dihydroquinoxalin-1-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 122143241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).