3,3-dicyclopropyl-N-[(1R,5S)-3-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-azabicyclo[3.1.0]hexan-6-yl]propanamide

C21H30N4O2 — CID 154773154

IUPAC3,3-dicyclopropyl-N-[(1R,5S)-3-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-azabicyclo[3.1.0]hexan-6-yl]propanamide
SMILESCc1cc(C)n(CC(=O)N2C[C@@H]3C(NC(=O)CC(C4CC4)C4CC4)[C@@H]3C2)n1
InChIInChI=1S/C21H30N4O2/c1-12-7-13(2)25(23-12)11-20(27)24-9-17-18(10-24)21(17)22-19(26)8-16(14-3-4-14)15-5-6-15/h7,14-18,21H,3-6,8-11H2,1-2H3,(H,22,26)/t17-,18+,21?
InChIKeyHFORPGJQEHSUGS-HTZLVSCSSA-N
MW370.50 g/mol
LogP1.90
Rot. Bonds7

About 3,3-dicyclopropyl-N-[(1R,5S)-3-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-azabicyclo[3.1.0]hexan-6-yl]propanamide

3,3-dicyclopropyl-N-[(1R,5S)-3-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-azabicyclo[3.1.0]hexan-6-yl]propanamide (PubChem CID 154773154) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 3,3-dicyclopropyl-N-[(1R,5S)-3-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-azabicyclo[3.1.0]hexan-6-yl]propanamide.

Molecular Properties

Compound Name3,3-dicyclopropyl-N-[(1R,5S)-3-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-azabicyclo[3.1.0]hexan-6-yl]propanamide
PubChem CID154773154
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name3,3-dicyclopropyl-N-[(1R,5S)-3-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-azabicyclo[3.1.0]hexan-6-yl]propanamide
SMILESCc1cc(C)n(CC(=O)N2C[C@@H]3C(NC(=O)CC(C4CC4)C4CC4)[C@@H]3C2)n1
InChIInChI=1S/C21H30N4O2/c1-12-7-13(2)25(23-12)11-20(27)24-9-17-18(10-24)21(17)22-19(26)8-16(14-3-4-14)15-5-6-15/h7,14-18,21H,3-6,8-11H2,1-2H3,(H,22,26)/t17-,18+,21?
InChIKeyHFORPGJQEHSUGS-HTZLVSCSSA-N
XLogP1.90
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dicyclopropyl-N-[(1R,5S)-3-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-azabicyclo[3.1.0]hexan-6-yl]propanamide?
The IUPAC name of 3,3-dicyclopropyl-N-[(1R,5S)-3-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-azabicyclo[3.1.0]hexan-6-yl]propanamide (CID 154773154) is 3,3-dicyclopropyl-N-[(1R,5S)-3-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-azabicyclo[3.1.0]hexan-6-yl]propanamide.
What is the SMILES notation for 3,3-dicyclopropyl-N-[(1R,5S)-3-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-azabicyclo[3.1.0]hexan-6-yl]propanamide?
The canonical SMILES for 3,3-dicyclopropyl-N-[(1R,5S)-3-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-azabicyclo[3.1.0]hexan-6-yl]propanamide is Cc1cc(C)n(CC(=O)N2C[C@@H]3C(NC(=O)CC(C4CC4)C4CC4)[C@@H]3C2)n1.
What is the InChIKey of 3,3-dicyclopropyl-N-[(1R,5S)-3-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-azabicyclo[3.1.0]hexan-6-yl]propanamide?
The InChIKey is HFORPGJQEHSUGS-HTZLVSCSSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-12-7-13(2)25(23-12)11-20(27)24-9-17-18(10-24)21(17)22-19(26)8-16(14-3-4-14)15-5-6-15/h7,14-18,21H,3-6,8-11H2,1-2H3,(H,22,26)/t17-,18+,21?.
What are the key properties of 3,3-dicyclopropyl-N-[(1R,5S)-3-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-azabicyclo[3.1.0]hexan-6-yl]propanamide?
3,3-dicyclopropyl-N-[(1R,5S)-3-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-azabicyclo[3.1.0]hexan-6-yl]propanamide has a molecular weight of 370.50 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dicyclopropyl-N-[(1R,5S)-3-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-azabicyclo[3.1.0]hexan-6-yl]propanamide is sourced from PubChem (CID 154773154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).