N-(4-cyano-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C15H14N4O — CID 107126694

IUPACN-(4-cyano-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C15H14N4O/c16-8-13-9-17-19-14(13)18-15(20)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,9,12H,5-7H2,(H2,17,18,19,20)
InChIKeyXULHHTCTOOCTKG-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.02
Rot. Bonds2

About N-(4-cyano-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-(4-cyano-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107126694) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107126694
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C15H14N4O/c16-8-13-9-17-19-14(13)18-15(20)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,9,12H,5-7H2,(H2,17,18,19,20)
InChIKeyXULHHTCTOOCTKG-UHFFFAOYSA-N
XLogP2.02
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 57402730
N-(4-cyano-1H-pyrazol-5-yl)oxolane-3-carboxamide
CID 79503855
N-(5-methyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127185
N-(2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106737104
N-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 58310850
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127200
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126922
N-(2-cyanopropan-2-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126662
N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126680
N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127203
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
N-(6-fluoro-2-pyridinyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127954

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107126694) is N-(4-cyano-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is N#Cc1cn[nH]c1NC(=O)C1CCc2ccccc2C1.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is XULHHTCTOOCTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-8-13-9-17-19-14(13)18-15(20)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,9,12H,5-7H2,(H2,17,18,19,20).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(4-cyano-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107126694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).