N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C18H26N6O — CID 78879120

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NC2CCN3CCCCC23)[nH]n1
InChIInChI=1S/C18H26N6O/c1-11-17(12(2)23(3)22-11)14-10-15(21-20-14)18(25)19-13-7-9-24-8-5-4-6-16(13)24/h10,13,16H,4-9H2,1-3H3,(H,19,25)(H,20,21)
InChIKeyNGHVFLGUVFUECB-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.78
Rot. Bonds3

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 78879120) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID78879120
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NC2CCN3CCCCC23)[nH]n1
InChIInChI=1S/C18H26N6O/c1-11-17(12(2)23(3)22-11)14-10-15(21-20-14)18(25)19-13-7-9-24-8-5-4-6-16(13)24/h10,13,16H,4-9H2,1-3H3,(H,19,25)(H,20,21)
InChIKeyNGHVFLGUVFUECB-UHFFFAOYSA-N
XLogP1.78
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 78879120) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)NC2CCN3CCCCC23)[nH]n1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is NGHVFLGUVFUECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-11-17(12(2)23(3)22-11)14-10-15(21-20-14)18(25)19-13-7-9-24-8-5-4-6-16(13)24/h10,13,16H,4-9H2,1-3H3,(H,19,25)(H,20,21).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 78879120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).