3-tert-butyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(thiophene-2-carbonyl)pyrazole-5-carboxamide

C19H21N5O2S — CID 22176656

IUPAC3-tert-butyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(thiophene-2-carbonyl)pyrazole-5-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2cc(C3CC3)[nH]n2)n(C(=O)c2cccs2)n1
InChIInChI=1S/C19H21N5O2S/c1-19(2,3)15-10-13(24(23-15)18(26)14-5-4-8-27-14)17(25)20-16-9-12(21-22-16)11-6-7-11/h4-5,8-11H,6-7H2,1-3H3,(H2,20,21,22,25)
InChIKeyHNTJOXVCAOBIKX-UHFFFAOYSA-N
MW383.48 g/mol
LogP3.78
Rot. Bonds4

About 3-tert-butyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(thiophene-2-carbonyl)pyrazole-5-carboxamide

3-tert-butyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(thiophene-2-carbonyl)pyrazole-5-carboxamide (PubChem CID 22176656) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 3-tert-butyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(thiophene-2-carbonyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(thiophene-2-carbonyl)pyrazole-5-carboxamide
PubChem CID22176656
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name3-tert-butyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(thiophene-2-carbonyl)pyrazole-5-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2cc(C3CC3)[nH]n2)n(C(=O)c2cccs2)n1
InChIInChI=1S/C19H21N5O2S/c1-19(2,3)15-10-13(24(23-15)18(26)14-5-4-8-27-14)17(25)20-16-9-12(21-22-16)11-6-7-11/h4-5,8-11H,6-7H2,1-3H3,(H2,20,21,22,25)
InChIKeyHNTJOXVCAOBIKX-UHFFFAOYSA-N
XLogP3.78
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(thiophene-2-carbonyl)pyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(thiophene-2-carbonyl)pyrazole-5-carboxamide (CID 22176656) is 3-tert-butyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(thiophene-2-carbonyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(thiophene-2-carbonyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(thiophene-2-carbonyl)pyrazole-5-carboxamide is CC(C)(C)c1cc(C(=O)Nc2cc(C3CC3)[nH]n2)n(C(=O)c2cccs2)n1.
What is the InChIKey of 3-tert-butyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(thiophene-2-carbonyl)pyrazole-5-carboxamide?
The InChIKey is HNTJOXVCAOBIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-19(2,3)15-10-13(24(23-15)18(26)14-5-4-8-27-14)17(25)20-16-9-12(21-22-16)11-6-7-11/h4-5,8-11H,6-7H2,1-3H3,(H2,20,21,22,25).
What are the key properties of 3-tert-butyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(thiophene-2-carbonyl)pyrazole-5-carboxamide?
3-tert-butyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(thiophene-2-carbonyl)pyrazole-5-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(thiophene-2-carbonyl)pyrazole-5-carboxamide is sourced from PubChem (CID 22176656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).