1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carbonitrile

C14H10N4 — CID 135449041

IUPAC1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carbonitrile
SMILESN#Cc1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3
InChIInChI=1S/C14H10N4/c15-6-8-1-4-12-11(5-8)10-3-2-9-7-16-18-13(9)14(10)17-12/h1,4-5,7,17H,2-3H2,(H,16,18)
InChIKeyIDSXKKJVMJVBRG-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.53
Rot. Bonds

About 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carbonitrile

1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carbonitrile (PubChem CID 135449041) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carbonitrile.

Molecular Properties

Compound Name1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carbonitrile
PubChem CID135449041
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carbonitrile
SMILESN#Cc1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3
InChIInChI=1S/C14H10N4/c15-6-8-1-4-12-11(5-8)10-3-2-9-7-16-18-13(9)14(10)17-12/h1,4-5,7,17H,2-3H2,(H,16,18)
InChIKeyIDSXKKJVMJVBRG-UHFFFAOYSA-N
XLogP2.53
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-(5-((4-(aminomethyl)piperidin-1-yl)methyl)-1H-indol-2-yl)-1H-indazole-6-carbonitrile
CID 135525556
2,4,5,10-Tetrahydropyrazolo[3,4-a]carbazole
CID 645436
4,5,6,11-Tetrahydro-1h-Pyrazolo[4',3':6,7]cyclohepta[1,2-B]indole
CID 135566619
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-1,2,3-triazol-1-yl)-1h-indazole
CID 135559064
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(2h-1,2,3-triazol-2-yl)-1h-indazole
CID 135559067
6-Phenyl-3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-1h-indazole
CID 135559068
5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
7-Methyl-1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole
CID 659102
7-Chloro-1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole
CID 829981
N-[(2S)-2-amino-3-phenylpropyl]-5-(3-methyl-1H-indazol-5-yl)pyridin-3-amine
CID 23647013
6-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-1H-indazole
CID 25093328
6-(5-methyl-1H-1,2,3-triazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole
CID 135559065

Frequently Asked Questions

What is the IUPAC name of 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carbonitrile?
The IUPAC name of 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carbonitrile (CID 135449041) is 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carbonitrile.
What is the SMILES notation for 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carbonitrile?
The canonical SMILES for 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carbonitrile is N#Cc1ccc2[nH]c3c(c2c1)CCc1cn[nH]c1-3.
What is the InChIKey of 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carbonitrile?
The InChIKey is IDSXKKJVMJVBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c15-6-8-1-4-12-11(5-8)10-3-2-9-7-16-18-13(9)14(10)17-12/h1,4-5,7,17H,2-3H2,(H,16,18).
What are the key properties of 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carbonitrile?
1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole-7-carbonitrile is sourced from PubChem (CID 135449041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).