N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1H-pyrazole-5-carboxamide

C14H17N5O2 — CID 122277494

IUPACN-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCn1nc2c(cc1=O)CCCC2)c1ccn[nH]1
InChIInChI=1S/C14H17N5O2/c20-13-9-10-3-1-2-4-11(10)18-19(13)8-7-15-14(21)12-5-6-16-17-12/h5-6,9H,1-4,7-8H2,(H,15,21)(H,16,17)
InChIKeyNLAKLGSOQOKFOO-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.28
Rot. Bonds4

About N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1H-pyrazole-5-carboxamide

N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 122277494) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID122277494
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCn1nc2c(cc1=O)CCCC2)c1ccn[nH]1
InChIInChI=1S/C14H17N5O2/c20-13-9-10-3-1-2-4-11(10)18-19(13)8-7-15-14(21)12-5-6-16-17-12/h5-6,9H,1-4,7-8H2,(H,15,21)(H,16,17)
InChIKeyNLAKLGSOQOKFOO-UHFFFAOYSA-N
XLogP0.28
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277170
2-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1,3-dihydroimidazole-4-carboxamide
CID 122277383
N-[2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)ethyl]benzamide
CID 46961824
3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277173
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 122277380
1-methyl-6-oxo-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]pyridazine-3-carboxamide
CID 122277284
5-bromo-2-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277460
3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277171
4-cyano-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277293
2-chloro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122160633
2,2,2-trifluoro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
CID 122277358
3-chloro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122280591

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 122277494) is N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1H-pyrazole-5-carboxamide is O=C(NCCn1nc2c(cc1=O)CCCC2)c1ccn[nH]1.
What is the InChIKey of N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is NLAKLGSOQOKFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-13-9-10-3-1-2-4-11(10)18-19(13)8-7-15-14(21)12-5-6-16-17-12/h5-6,9H,1-4,7-8H2,(H,15,21)(H,16,17).
What are the key properties of N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1H-pyrazole-5-carboxamide?
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 122277494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).