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

C16H24N4O2 — CID 167524562

IUPACN-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)NC(=O)C1C2CN(C(=O)c3cc(C(C)C)[nH]n3)CC21
InChIInChI=1S/C16H24N4O2/c1-8(2)12-5-13(19-18-12)16(22)20-6-10-11(7-20)14(10)15(21)17-9(3)4/h5,8-11,14H,6-7H2,1-4H3,(H,17,21)(H,18,19)
InChIKeyIXZBELFRWCXTJD-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.38
Rot. Bonds4

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

N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 167524562) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID167524562
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)NC(=O)C1C2CN(C(=O)c3cc(C(C)C)[nH]n3)CC21
InChIInChI=1S/C16H24N4O2/c1-8(2)12-5-13(19-18-12)16(22)20-6-10-11(7-20)14(10)15(21)17-9(3)4/h5,8-11,14H,6-7H2,1-4H3,(H,17,21)(H,18,19)
InChIKeyIXZBELFRWCXTJD-UHFFFAOYSA-N
XLogP1.38
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 167524562) is N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)NC(=O)C1C2CN(C(=O)c3cc(C(C)C)[nH]n3)CC21.
What is the InChIKey of N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is IXZBELFRWCXTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-8(2)12-5-13(19-18-12)16(22)20-6-10-11(7-20)14(10)15(21)17-9(3)4/h5,8-11,14H,6-7H2,1-4H3,(H,17,21)(H,18,19).
What are the key properties of N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 167524562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).