1-[(E)-3,3-dimethylpent-1-enyl]-N-[(3R,10R)-3-(hydroxymethyl)-5-methyl-10-tricyclo[5.2.1.03,9]decanyl]-5-morpholin-4-ylpyrazole-4-carboxamide

C27H42N4O3 — CID 70909355

IUPAC1-[(E)-3,3-dimethylpent-1-enyl]-N-[(3R,10R)-3-(hydroxymethyl)-5-methyl-10-tricyclo[5.2.1.03,9]decanyl]-5-morpholin-4-ylpyrazole-4-carboxamide
SMILESCCC(C)(C)/C=C/n1ncc(C(=O)N[C@@H]2C3CC(C)C[C@@]4(CO)CC2C4C3)c1N1CCOCC1
InChIInChI=1S/C27H42N4O3/c1-5-26(3,4)6-7-31-25(30-8-10-34-11-9-30)21(16-28-31)24(33)29-23-19-12-18(2)14-27(17-32)15-20(23)22(27)13-19/h6-7,16,18-20,22-23,32H,5,8-15,17H2,1-4H3,(H,29,33)/b7-6+/t18?,19?,20?,22?,23-,27+/m1/s1
InChIKeyWWRUXAROUXPQDR-XGUJJBQSSA-N
MW470.66 g/mol
LogP3.79
Rot. Bonds7

About 1-[(E)-3,3-dimethylpent-1-enyl]-N-[(3R,10R)-3-(hydroxymethyl)-5-methyl-10-tricyclo[5.2.1.03,9]decanyl]-5-morpholin-4-ylpyrazole-4-carboxamide

1-[(E)-3,3-dimethylpent-1-enyl]-N-[(3R,10R)-3-(hydroxymethyl)-5-methyl-10-tricyclo[5.2.1.03,9]decanyl]-5-morpholin-4-ylpyrazole-4-carboxamide (PubChem CID 70909355) has the molecular formula C27H42N4O3 and a molecular weight of 470.66 g/mol. Its IUPAC name is 1-[(E)-3,3-dimethylpent-1-enyl]-N-[(3R,10R)-3-(hydroxymethyl)-5-methyl-10-tricyclo[5.2.1.03,9]decanyl]-5-morpholin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(E)-3,3-dimethylpent-1-enyl]-N-[(3R,10R)-3-(hydroxymethyl)-5-methyl-10-tricyclo[5.2.1.03,9]decanyl]-5-morpholin-4-ylpyrazole-4-carboxamide
PubChem CID70909355
Molecular FormulaC27H42N4O3
Molecular Weight470.66 g/mol
Exact Mass470.33
IUPAC Name1-[(E)-3,3-dimethylpent-1-enyl]-N-[(3R,10R)-3-(hydroxymethyl)-5-methyl-10-tricyclo[5.2.1.03,9]decanyl]-5-morpholin-4-ylpyrazole-4-carboxamide
SMILESCCC(C)(C)/C=C/n1ncc(C(=O)N[C@@H]2C3CC(C)C[C@@]4(CO)CC2C4C3)c1N1CCOCC1
InChIInChI=1S/C27H42N4O3/c1-5-26(3,4)6-7-31-25(30-8-10-34-11-9-30)21(16-28-31)24(33)29-23-19-12-18(2)14-27(17-32)15-20(23)22(27)13-19/h6-7,16,18-20,22-23,32H,5,8-15,17H2,1-4H3,(H,29,33)/b7-6+/t18?,19?,20?,22?,23-,27+/m1/s1
InChIKeyWWRUXAROUXPQDR-XGUJJBQSSA-N
XLogP3.79
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.66
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(E)-3,3-dimethylpent-1-enyl]-N-[(3R,10R)-3-(hydroxymethyl)-5-methyl-10-tricyclo[5.2.1.03,9]decanyl]-5-morpholin-4-ylpyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,3-dimethylpent-1-enyl]-N-[(3R,10R)-3-(hydroxymethyl)-5-methyl-10-tricyclo[5.2.1.03,9]decanyl]-5-morpholin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 1-[(E)-3,3-dimethylpent-1-enyl]-N-[(3R,10R)-3-(hydroxymethyl)-5-methyl-10-tricyclo[5.2.1.03,9]decanyl]-5-morpholin-4-ylpyrazole-4-carboxamide (CID 70909355) is 1-[(E)-3,3-dimethylpent-1-enyl]-N-[(3R,10R)-3-(hydroxymethyl)-5-methyl-10-tricyclo[5.2.1.03,9]decanyl]-5-morpholin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[(E)-3,3-dimethylpent-1-enyl]-N-[(3R,10R)-3-(hydroxymethyl)-5-methyl-10-tricyclo[5.2.1.03,9]decanyl]-5-morpholin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-[(E)-3,3-dimethylpent-1-enyl]-N-[(3R,10R)-3-(hydroxymethyl)-5-methyl-10-tricyclo[5.2.1.03,9]decanyl]-5-morpholin-4-ylpyrazole-4-carboxamide is CCC(C)(C)/C=C/n1ncc(C(=O)N[C@@H]2C3CC(C)C[C@@]4(CO)CC2C4C3)c1N1CCOCC1.
What is the InChIKey of 1-[(E)-3,3-dimethylpent-1-enyl]-N-[(3R,10R)-3-(hydroxymethyl)-5-methyl-10-tricyclo[5.2.1.03,9]decanyl]-5-morpholin-4-ylpyrazole-4-carboxamide?
The InChIKey is WWRUXAROUXPQDR-XGUJJBQSSA-N. The full InChI is InChI=1S/C27H42N4O3/c1-5-26(3,4)6-7-31-25(30-8-10-34-11-9-30)21(16-28-31)24(33)29-23-19-12-18(2)14-27(17-32)15-20(23)22(27)13-19/h6-7,16,18-20,22-23,32H,5,8-15,17H2,1-4H3,(H,29,33)/b7-6+/t18?,19?,20?,22?,23-,27+/m1/s1.
What are the key properties of 1-[(E)-3,3-dimethylpent-1-enyl]-N-[(3R,10R)-3-(hydroxymethyl)-5-methyl-10-tricyclo[5.2.1.03,9]decanyl]-5-morpholin-4-ylpyrazole-4-carboxamide?
1-[(E)-3,3-dimethylpent-1-enyl]-N-[(3R,10R)-3-(hydroxymethyl)-5-methyl-10-tricyclo[5.2.1.03,9]decanyl]-5-morpholin-4-ylpyrazole-4-carboxamide has a molecular weight of 470.66 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,3-dimethylpent-1-enyl]-N-[(3R,10R)-3-(hydroxymethyl)-5-methyl-10-tricyclo[5.2.1.03,9]decanyl]-5-morpholin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 70909355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).