1-[1-(1H-indole-2-carbonyl)azetidin-3-yl]pyrazole-4-carbonitrile

C16H13N5O — CID 126900479

IUPAC1-[1-(1H-indole-2-carbonyl)azetidin-3-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CN(C(=O)c3cc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C16H13N5O/c17-6-11-7-18-21(8-11)13-9-20(10-13)16(22)15-5-12-3-1-2-4-14(12)19-15/h1-5,7-8,13,19H,9-10H2
InChIKeyVWROIUCOGQQTPS-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.93
Rot. Bonds2

About 1-[1-(1H-indole-2-carbonyl)azetidin-3-yl]pyrazole-4-carbonitrile

1-[1-(1H-indole-2-carbonyl)azetidin-3-yl]pyrazole-4-carbonitrile (PubChem CID 126900479) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-[1-(1H-indole-2-carbonyl)azetidin-3-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[1-(1H-indole-2-carbonyl)azetidin-3-yl]pyrazole-4-carbonitrile
PubChem CID126900479
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name1-[1-(1H-indole-2-carbonyl)azetidin-3-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CN(C(=O)c3cc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C16H13N5O/c17-6-11-7-18-21(8-11)13-9-20(10-13)16(22)15-5-12-3-1-2-4-14(12)19-15/h1-5,7-8,13,19H,9-10H2
InChIKeyVWROIUCOGQQTPS-UHFFFAOYSA-N
XLogP1.93
TPSA77.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminoazetidin-1-yl)-(1H-indol-2-yl)methanone
CID 65244567
1-[1-(1H-indole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947621
1-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900489
3-[1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626740
1-[1-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945631
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(1H-indol-2-yl)methanone
CID 72840619
5-(1H-indole-2-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile
CID 142576411
1-[1-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126945962
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
1H-indol-2-yl-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250203
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-indole-2-carbonyl)azetidin-3-yl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[1-(1H-indole-2-carbonyl)azetidin-3-yl]pyrazole-4-carbonitrile (CID 126900479) is 1-[1-(1H-indole-2-carbonyl)azetidin-3-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[1-(1H-indole-2-carbonyl)azetidin-3-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[1-(1H-indole-2-carbonyl)azetidin-3-yl]pyrazole-4-carbonitrile is N#Cc1cnn(C2CN(C(=O)c3cc4ccccc4[nH]3)C2)c1.
What is the InChIKey of 1-[1-(1H-indole-2-carbonyl)azetidin-3-yl]pyrazole-4-carbonitrile?
The InChIKey is VWROIUCOGQQTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c17-6-11-7-18-21(8-11)13-9-20(10-13)16(22)15-5-12-3-1-2-4-14(12)19-15/h1-5,7-8,13,19H,9-10H2.
What are the key properties of 1-[1-(1H-indole-2-carbonyl)azetidin-3-yl]pyrazole-4-carbonitrile?
1-[1-(1H-indole-2-carbonyl)azetidin-3-yl]pyrazole-4-carbonitrile has a molecular weight of 291.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-indole-2-carbonyl)azetidin-3-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 126900479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).