N-tert-butyl-6-methyl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

C18H28N4O2 — CID 167524495

IUPACN-tert-butyl-6-methyl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)c1cc(C(=O)N2CC3C(C2)C3(C)C(=O)NC(C)(C)C)n[nH]1
InChIInChI=1S/C18H28N4O2/c1-10(2)13-7-14(21-20-13)15(23)22-8-11-12(9-22)18(11,6)16(24)19-17(3,4)5/h7,10-12H,8-9H2,1-6H3,(H,19,24)(H,20,21)
InChIKeyCAHHCIKCQPEOLD-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.16
Rot. Bonds3

About N-tert-butyl-6-methyl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

N-tert-butyl-6-methyl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 167524495) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-tert-butyl-6-methyl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-methyl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID167524495
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-tert-butyl-6-methyl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)c1cc(C(=O)N2CC3C(C2)C3(C)C(=O)NC(C)(C)C)n[nH]1
InChIInChI=1S/C18H28N4O2/c1-10(2)13-7-14(21-20-13)15(23)22-8-11-12(9-22)18(11,6)16(24)19-17(3,4)5/h7,10-12H,8-9H2,1-6H3,(H,19,24)(H,20,21)
InChIKeyCAHHCIKCQPEOLD-UHFFFAOYSA-N
XLogP2.16
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-methyl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-tert-butyl-6-methyl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 167524495) is N-tert-butyl-6-methyl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-tert-butyl-6-methyl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-tert-butyl-6-methyl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)c1cc(C(=O)N2CC3C(C2)C3(C)C(=O)NC(C)(C)C)n[nH]1.
What is the InChIKey of N-tert-butyl-6-methyl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is CAHHCIKCQPEOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-10(2)13-7-14(21-20-13)15(23)22-8-11-12(9-22)18(11,6)16(24)19-17(3,4)5/h7,10-12H,8-9H2,1-6H3,(H,19,24)(H,20,21).
What are the key properties of N-tert-butyl-6-methyl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
N-tert-butyl-6-methyl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-methyl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 167524495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).