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

C18H26N4O2 — CID 168678799

IUPAC(1S,5R)-N-methyl-N-(1-methylcyclopropyl)-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)c1cc(C(=O)N2C[C@@H]3C(C(=O)N(C)C4(C)CC4)[C@@H]3C2)n[nH]1
InChIInChI=1S/C18H26N4O2/c1-10(2)13-7-14(20-19-13)16(23)22-8-11-12(9-22)15(11)17(24)21(4)18(3)5-6-18/h7,10-12,15H,5-6,8-9H2,1-4H3,(H,19,20)/t11-,12+,15?
InChIKeyXAMIISPKWLOZMY-ODOQXGPZSA-N
MW330.43 g/mol
LogP1.86
Rot. Bonds4

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

(1S,5R)-N-methyl-N-(1-methylcyclopropyl)-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 168678799) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (1S,5R)-N-methyl-N-(1-methylcyclopropyl)-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-methyl-N-(1-methylcyclopropyl)-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID168678799
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(1S,5R)-N-methyl-N-(1-methylcyclopropyl)-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)c1cc(C(=O)N2C[C@@H]3C(C(=O)N(C)C4(C)CC4)[C@@H]3C2)n[nH]1
InChIInChI=1S/C18H26N4O2/c1-10(2)13-7-14(20-19-13)16(23)22-8-11-12(9-22)15(11)17(24)21(4)18(3)5-6-18/h7,10-12,15H,5-6,8-9H2,1-4H3,(H,19,20)/t11-,12+,15?
InChIKeyXAMIISPKWLOZMY-ODOQXGPZSA-N
XLogP1.86
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-methyl-N-(1-methylcyclopropyl)-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N-methyl-N-(1-methylcyclopropyl)-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 168678799) is (1S,5R)-N-methyl-N-(1-methylcyclopropyl)-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-methyl-N-(1-methylcyclopropyl)-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-methyl-N-(1-methylcyclopropyl)-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)c1cc(C(=O)N2C[C@@H]3C(C(=O)N(C)C4(C)CC4)[C@@H]3C2)n[nH]1.
What is the InChIKey of (1S,5R)-N-methyl-N-(1-methylcyclopropyl)-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is XAMIISPKWLOZMY-ODOQXGPZSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-10(2)13-7-14(20-19-13)16(23)22-8-11-12(9-22)15(11)17(24)21(4)18(3)5-6-18/h7,10-12,15H,5-6,8-9H2,1-4H3,(H,19,20)/t11-,12+,15?.
What are the key properties of (1S,5R)-N-methyl-N-(1-methylcyclopropyl)-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N-methyl-N-(1-methylcyclopropyl)-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-methyl-N-(1-methylcyclopropyl)-3-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 168678799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).