5-pyrimidin-5-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide

C22H19N5OS — CID 134816615

IUPAC5-pyrimidin-5-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(-c2ccc3c(c2)CCCC3)[nH]n1)c1ccc(-c2cncnc2)s1
InChIInChI=1S/C22H19N5OS/c28-22(20-8-7-19(29-20)17-11-23-13-24-12-17)25-21-10-18(26-27-21)16-6-5-14-3-1-2-4-15(14)9-16/h5-13H,1-4H2,(H2,25,26,27,28)
InChIKeyGNCYICNEWLBCTL-UHFFFAOYSA-N
MW401.50 g/mol
LogP4.73
Rot. Bonds4

About 5-pyrimidin-5-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide

5-pyrimidin-5-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 134816615) has the molecular formula C22H19N5OS and a molecular weight of 401.50 g/mol. Its IUPAC name is 5-pyrimidin-5-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-pyrimidin-5-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID134816615
Molecular FormulaC22H19N5OS
Molecular Weight401.50 g/mol
Exact Mass401.13
IUPAC Name5-pyrimidin-5-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(-c2ccc3c(c2)CCCC3)[nH]n1)c1ccc(-c2cncnc2)s1
InChIInChI=1S/C22H19N5OS/c28-22(20-8-7-19(29-20)17-11-23-13-24-12-17)25-21-10-18(26-27-21)16-6-5-14-3-1-2-4-15(14)9-16/h5-13H,1-4H2,(H2,25,26,27,28)
InChIKeyGNCYICNEWLBCTL-UHFFFAOYSA-N
XLogP4.73
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyrimidin-5-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-pyrimidin-5-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide (CID 134816615) is 5-pyrimidin-5-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-pyrimidin-5-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-pyrimidin-5-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide is O=C(Nc1cc(-c2ccc3c(c2)CCCC3)[nH]n1)c1ccc(-c2cncnc2)s1.
What is the InChIKey of 5-pyrimidin-5-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is GNCYICNEWLBCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5OS/c28-22(20-8-7-19(29-20)17-11-23-13-24-12-17)25-21-10-18(26-27-21)16-6-5-14-3-1-2-4-15(14)9-16/h5-13H,1-4H2,(H2,25,26,27,28).
What are the key properties of 5-pyrimidin-5-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide?
5-pyrimidin-5-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 401.50 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrimidin-5-yl-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 134816615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).