1-tert-butyl-5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-3-carboxamide

C20H26N4O — CID 75469389

IUPAC1-tert-butyl-5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-3-carboxamide
SMILESCC(C)(C)n1nc(C(=O)Nc2ccc3c(c2)CNCC3)cc1C1CC1
InChIInChI=1S/C20H26N4O/c1-20(2,3)24-18(14-4-5-14)11-17(23-24)19(25)22-16-7-6-13-8-9-21-12-15(13)10-16/h6-7,10-11,14,21H,4-5,8-9,12H2,1-3H3,(H,22,25)
InChIKeyWUUWZBMAOZLZDV-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.41
Rot. Bonds3

About 1-tert-butyl-5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-3-carboxamide

1-tert-butyl-5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-3-carboxamide (PubChem CID 75469389) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-tert-butyl-5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-3-carboxamide
PubChem CID75469389
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-tert-butyl-5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-3-carboxamide
SMILESCC(C)(C)n1nc(C(=O)Nc2ccc3c(c2)CNCC3)cc1C1CC1
InChIInChI=1S/C20H26N4O/c1-20(2,3)24-18(14-4-5-14)11-17(23-24)19(25)22-16-7-6-13-8-9-21-12-15(13)10-16/h6-7,10-11,14,21H,4-5,8-9,12H2,1-3H3,(H,22,25)
InChIKeyWUUWZBMAOZLZDV-UHFFFAOYSA-N
XLogP3.41
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-3-carboxamide (CID 75469389) is 1-tert-butyl-5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-3-carboxamide is CC(C)(C)n1nc(C(=O)Nc2ccc3c(c2)CNCC3)cc1C1CC1.
What is the InChIKey of 1-tert-butyl-5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-3-carboxamide?
The InChIKey is WUUWZBMAOZLZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-20(2,3)24-18(14-4-5-14)11-17(23-24)19(25)22-16-7-6-13-8-9-21-12-15(13)10-16/h6-7,10-11,14,21H,4-5,8-9,12H2,1-3H3,(H,22,25).
What are the key properties of 1-tert-butyl-5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-3-carboxamide?
1-tert-butyl-5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-3-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-cyclopropyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 75469389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).