1-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile

C17H16N6 — CID 126947693

IUPAC1-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
SMILESCc1nc2ccccc2nc1N1CCC(n2cc(C#N)cn2)C1
InChIInChI=1S/C17H16N6/c1-12-17(21-16-5-3-2-4-15(16)20-12)22-7-6-14(11-22)23-10-13(8-18)9-19-23/h2-5,9-10,14H,6-7,11H2,1H3
InChIKeyMSPAIZQGNRZOEJ-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.46
Rot. Bonds2

About 1-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile

1-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile (PubChem CID 126947693) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
PubChem CID126947693
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name1-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
SMILESCc1nc2ccccc2nc1N1CCC(n2cc(C#N)cn2)C1
InChIInChI=1S/C17H16N6/c1-12-17(21-16-5-3-2-4-15(16)20-12)22-7-6-14(11-22)23-10-13(8-18)9-19-23/h2-5,9-10,14H,6-7,11H2,1H3
InChIKeyMSPAIZQGNRZOEJ-UHFFFAOYSA-N
XLogP2.46
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline
CID 126947305
1-[1-[2-(difluoromethyl)quinazolin-4-yl]pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947830
1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947907
1-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947717
1-(1-quinoxalin-2-ylazetidin-3-yl)pyrazole-4-carbonitrile
CID 126900803
3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 126947642
2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline
CID 133275794
4-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]morpholine
CID 172900398
2-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126947868
1-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947843
2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline
CID 126947471
1-(1-tert-butylpiperidin-3-yl)pyrazole-4-carbonitrile
CID 105491775

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile (CID 126947693) is 1-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile is Cc1nc2ccccc2nc1N1CCC(n2cc(C#N)cn2)C1.
What is the InChIKey of 1-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The InChIKey is MSPAIZQGNRZOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c1-12-17(21-16-5-3-2-4-15(16)20-12)22-7-6-14(11-22)23-10-13(8-18)9-19-23/h2-5,9-10,14H,6-7,11H2,1H3.
What are the key properties of 1-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
1-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile has a molecular weight of 304.36 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 126947693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).