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

C17H15N5O — CID 126947621

IUPAC1-[1-(1H-indole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CCN(C(=O)c3cccc4[nH]ccc34)C2)c1
InChIInChI=1S/C17H15N5O/c18-8-12-9-20-22(10-12)13-5-7-21(11-13)17(23)15-2-1-3-16-14(15)4-6-19-16/h1-4,6,9-10,13,19H,5,7,11H2
InChIKeyDFTPXJNRVLMBHB-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.32
Rot. Bonds2

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

1-[1-(1H-indole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile (PubChem CID 126947621) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-[1-(1H-indole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[1-(1H-indole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
PubChem CID126947621
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name1-[1-(1H-indole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C2CCN(C(=O)c3cccc4[nH]ccc34)C2)c1
InChIInChI=1S/C17H15N5O/c18-8-12-9-20-22(10-12)13-5-7-21(11-13)17(23)15-2-1-3-16-14(15)4-6-19-16/h1-4,6,9-10,13,19H,5,7,11H2
InChIKeyDFTPXJNRVLMBHB-UHFFFAOYSA-N
XLogP2.32
TPSA77.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946391
1-[1-(5-chlorothiophene-2-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947579
1-[1-(1H-indole-2-carbonyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900479
1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile
CID 126947583
[3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone
CID 103975888
tert-butyl (3S)-3-(4-cyanopyrazol-1-yl)pyrrolidine-1-carboxylate
CID 172557595
azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
(3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone
CID 65245171
1H-indol-4-yl-[3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91908598
(4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone
CID 112828614
1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968875
[4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone
CID 80550607

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-indole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The IUPAC name of 1-[1-(1H-indole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile (CID 126947621) is 1-[1-(1H-indole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[1-(1H-indole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[1-(1H-indole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile is N#Cc1cnn(C2CCN(C(=O)c3cccc4[nH]ccc34)C2)c1.
What is the InChIKey of 1-[1-(1H-indole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
The InChIKey is DFTPXJNRVLMBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c18-8-12-9-20-22(10-12)13-5-7-21(11-13)17(23)15-2-1-3-16-14(15)4-6-19-16/h1-4,6,9-10,13,19H,5,7,11H2.
What are the key properties of 1-[1-(1H-indole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile?
1-[1-(1H-indole-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile has a molecular weight of 305.34 g/mol, XLogP of 2.32, 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-4-carbonyl)pyrrolidin-3-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 126947621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).