N-(3-chlorophenyl)-3-(1,2-thiazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C16H14ClN5OS — CID 162643050

IUPACN-(3-chlorophenyl)-3-(1,2-thiazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccsn3)c2C1
InChIInChI=1S/C16H14ClN5OS/c17-10-2-1-3-11(8-10)18-16(23)22-6-4-13-12(9-22)15(20-19-13)14-5-7-24-21-14/h1-3,5,7-8H,4,6,9H2,(H,18,23)(H,19,20)
InChIKeyYTSQQYPZBYQRLO-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.78
Rot. Bonds2

About N-(3-chlorophenyl)-3-(1,2-thiazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-(3-chlorophenyl)-3-(1,2-thiazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 162643050) has the molecular formula C16H14ClN5OS and a molecular weight of 359.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(1,2-thiazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(1,2-thiazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID162643050
Molecular FormulaC16H14ClN5OS
Molecular Weight359.84 g/mol
Exact Mass359.06
IUPAC NameN-(3-chlorophenyl)-3-(1,2-thiazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccsn3)c2C1
InChIInChI=1S/C16H14ClN5OS/c17-10-2-1-3-11(8-10)18-16(23)22-6-4-13-12(9-22)15(20-19-13)14-5-7-24-21-14/h1-3,5,7-8H,4,6,9H2,(H,18,23)(H,19,20)
InChIKeyYTSQQYPZBYQRLO-UHFFFAOYSA-N
XLogP3.78
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(1,2-thiazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-(1,2-thiazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 162643050) is N-(3-chlorophenyl)-3-(1,2-thiazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(1,2-thiazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(1,2-thiazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccsn3)c2C1.
What is the InChIKey of N-(3-chlorophenyl)-3-(1,2-thiazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is YTSQQYPZBYQRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5OS/c17-10-2-1-3-11(8-10)18-16(23)22-6-4-13-12(9-22)15(20-19-13)14-5-7-24-21-14/h1-3,5,7-8H,4,6,9H2,(H,18,23)(H,19,20).
What are the key properties of N-(3-chlorophenyl)-3-(1,2-thiazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3-chlorophenyl)-3-(1,2-thiazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 359.84 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(1,2-thiazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 162643050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).