(3S)-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]oxolane-3-carboxamide

C14H17N5O2 — CID 129355114

IUPAC(3S)-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]oxolane-3-carboxamide
SMILESCn1nc(-c2cnccn2)cc1CNC(=O)[C@H]1CCOC1
InChIInChI=1S/C14H17N5O2/c1-19-11(7-17-14(20)10-2-5-21-9-10)6-12(18-19)13-8-15-3-4-16-13/h3-4,6,8,10H,2,5,7,9H2,1H3,(H,17,20)/t10-/m0/s1
InChIKeySXRONOWHALMUDB-JTQLQIEISA-N
MW287.32 g/mol
LogP0.53
Rot. Bonds4

About (3S)-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]oxolane-3-carboxamide

(3S)-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]oxolane-3-carboxamide (PubChem CID 129355114) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is (3S)-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]oxolane-3-carboxamide
PubChem CID129355114
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name(3S)-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]oxolane-3-carboxamide
SMILESCn1nc(-c2cnccn2)cc1CNC(=O)[C@H]1CCOC1
InChIInChI=1S/C14H17N5O2/c1-19-11(7-17-14(20)10-2-5-21-9-10)6-12(18-19)13-8-15-3-4-16-13/h3-4,6,8,10H,2,5,7,9H2,1H3,(H,17,20)/t10-/m0/s1
InChIKeySXRONOWHALMUDB-JTQLQIEISA-N
XLogP0.53
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 121020005
(E)-3-(2-methylphenyl)-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]prop-2-enamide
CID 121020018
3-(2-chlorophenyl)-5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
CID 121020020
5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 121020006
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide
CID 122274513
1-methyl-N-[[4-[(oxolane-3-carbonylamino)methyl]phenyl]methyl]pyrazole-3-carboxamide
CID 146148732
2-[4-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methylsulfamoyl]phenoxy]acetamide
CID 121020043
N-cyclobutyl-1-methyl-3-[(oxolane-3-carbonylamino)methyl]thieno[2,3-c]pyrazole-5-carboxamide
CID 131689567
N-(7,7-dimethyl-2-pyrazin-2-yl-6,8-dihydro-5H-quinazolin-5-yl)oxolane-3-carboxamide
CID 110238779
(3R)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]oxolane-3-carboxamide
CID 25370039
N-[(7-bromoquinoxalin-2-yl)methyl]oxane-4-carboxamide
CID 156694037
(3S)-N-[(1-propylindazol-3-yl)methyl]oxolane-3-carboxamide
CID 95100451

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]oxolane-3-carboxamide (CID 129355114) is (3S)-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]oxolane-3-carboxamide is Cn1nc(-c2cnccn2)cc1CNC(=O)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]oxolane-3-carboxamide?
The InChIKey is SXRONOWHALMUDB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N5O2/c1-19-11(7-17-14(20)10-2-5-21-9-10)6-12(18-19)13-8-15-3-4-16-13/h3-4,6,8,10H,2,5,7,9H2,1H3,(H,17,20)/t10-/m0/s1.
What are the key properties of (3S)-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]oxolane-3-carboxamide?
(3S)-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]oxolane-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 129355114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).