N-(4-cyano-1H-pyrazol-5-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

C14H14N4OS — CID 78913827

IUPACN-(4-cyano-1H-pyrazol-5-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)c1cc2c(s1)CCCCC2
InChIInChI=1S/C14H14N4OS/c15-7-10-8-16-18-13(10)17-14(19)12-6-9-4-2-1-3-5-11(9)20-12/h6,8H,1-5H2,(H2,16,17,18,19)
InChIKeyOEMUINQTCQKBGG-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.86
Rot. Bonds2

About N-(4-cyano-1H-pyrazol-5-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

N-(4-cyano-1H-pyrazol-5-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide (PubChem CID 78913827) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
PubChem CID78913827
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)c1cc2c(s1)CCCCC2
InChIInChI=1S/C14H14N4OS/c15-7-10-8-16-18-13(10)17-14(19)12-6-9-4-2-1-3-5-11(9)20-12/h6,8H,1-5H2,(H2,16,17,18,19)
InChIKeyOEMUINQTCQKBGG-UHFFFAOYSA-N
XLogP2.86
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide (CID 78913827) is N-(4-cyano-1H-pyrazol-5-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide is N#Cc1cn[nH]c1NC(=O)c1cc2c(s1)CCCCC2.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
The InChIKey is OEMUINQTCQKBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c15-7-10-8-16-18-13(10)17-14(19)12-6-9-4-2-1-3-5-11(9)20-12/h6,8H,1-5H2,(H2,16,17,18,19).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide?
N-(4-cyano-1H-pyrazol-5-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide is sourced from PubChem (CID 78913827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).