1-[2-hydroxy-2-[(2R,5R,7R,11S,14S,15S)-5-hydroxy-2,5,15-trimethyl-14-tetracyclo[8.7.2.02,7.011,15]nonadecanyl]ethyl]-N-methylpyrazole-4-carboxamide

C29H47N3O3 — CID 163703841

IUPAC1-[2-hydroxy-2-[(2R,5R,7R,11S,14S,15S)-5-hydroxy-2,5,15-trimethyl-14-tetracyclo[8.7.2.02,7.011,15]nonadecanyl]ethyl]-N-methylpyrazole-4-carboxamide
SMILESCNC(=O)c1cnn(CC(O)[C@H]2CC[C@H]3C4CCC(CC[C@]23C)[C@@]2(C)CC[C@@](C)(O)C[C@H]2CC4)c1
InChIInChI=1S/C29H47N3O3/c1-27(35)13-14-28(2)21-7-5-19(6-8-22(28)15-27)23-9-10-24(29(23,3)12-11-21)25(33)18-32-17-20(16-31-32)26(34)30-4/h16-17,19,21-25,33,35H,5-15,18H2,1-4H3,(H,30,34)/t19?,21?,22-,23+,24-,25?,27-,28-,29+/m1/s1
InChIKeyKDINKRCHOKKGHD-USZFSTNRSA-N
MW485.71 g/mol
LogP4.79
Rot. Bonds4

About 1-[2-hydroxy-2-[(2R,5R,7R,11S,14S,15S)-5-hydroxy-2,5,15-trimethyl-14-tetracyclo[8.7.2.02,7.011,15]nonadecanyl]ethyl]-N-methylpyrazole-4-carboxamide

1-[2-hydroxy-2-[(2R,5R,7R,11S,14S,15S)-5-hydroxy-2,5,15-trimethyl-14-tetracyclo[8.7.2.02,7.011,15]nonadecanyl]ethyl]-N-methylpyrazole-4-carboxamide (PubChem CID 163703841) has the molecular formula C29H47N3O3 and a molecular weight of 485.71 g/mol. Its IUPAC name is 1-[2-hydroxy-2-[(2R,5R,7R,11S,14S,15S)-5-hydroxy-2,5,15-trimethyl-14-tetracyclo[8.7.2.02,7.011,15]nonadecanyl]ethyl]-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-hydroxy-2-[(2R,5R,7R,11S,14S,15S)-5-hydroxy-2,5,15-trimethyl-14-tetracyclo[8.7.2.02,7.011,15]nonadecanyl]ethyl]-N-methylpyrazole-4-carboxamide
PubChem CID163703841
Molecular FormulaC29H47N3O3
Molecular Weight485.71 g/mol
Exact Mass485.36
IUPAC Name1-[2-hydroxy-2-[(2R,5R,7R,11S,14S,15S)-5-hydroxy-2,5,15-trimethyl-14-tetracyclo[8.7.2.02,7.011,15]nonadecanyl]ethyl]-N-methylpyrazole-4-carboxamide
SMILESCNC(=O)c1cnn(CC(O)[C@H]2CC[C@H]3C4CCC(CC[C@]23C)[C@@]2(C)CC[C@@](C)(O)C[C@H]2CC4)c1
InChIInChI=1S/C29H47N3O3/c1-27(35)13-14-28(2)21-7-5-19(6-8-22(28)15-27)23-9-10-24(29(23,3)12-11-21)25(33)18-32-17-20(16-31-32)26(34)30-4/h16-17,19,21-25,33,35H,5-15,18H2,1-4H3,(H,30,34)/t19?,21?,22-,23+,24-,25?,27-,28-,29+/m1/s1
InChIKeyKDINKRCHOKKGHD-USZFSTNRSA-N
XLogP4.79
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.71
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-hydroxy-2-[(2R,5R,7R,11S,14S,15S)-5-hydroxy-2,5,15-trimethyl-14-tetracyclo[8.7.2.02,7.011,15]nonadecanyl]ethyl]-N-methylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-2-[(2R,5R,7R,11S,14S,15S)-5-hydroxy-2,5,15-trimethyl-14-tetracyclo[8.7.2.02,7.011,15]nonadecanyl]ethyl]-N-methylpyrazole-4-carboxamide?
The IUPAC name of 1-[2-hydroxy-2-[(2R,5R,7R,11S,14S,15S)-5-hydroxy-2,5,15-trimethyl-14-tetracyclo[8.7.2.02,7.011,15]nonadecanyl]ethyl]-N-methylpyrazole-4-carboxamide (CID 163703841) is 1-[2-hydroxy-2-[(2R,5R,7R,11S,14S,15S)-5-hydroxy-2,5,15-trimethyl-14-tetracyclo[8.7.2.02,7.011,15]nonadecanyl]ethyl]-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-hydroxy-2-[(2R,5R,7R,11S,14S,15S)-5-hydroxy-2,5,15-trimethyl-14-tetracyclo[8.7.2.02,7.011,15]nonadecanyl]ethyl]-N-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-[2-hydroxy-2-[(2R,5R,7R,11S,14S,15S)-5-hydroxy-2,5,15-trimethyl-14-tetracyclo[8.7.2.02,7.011,15]nonadecanyl]ethyl]-N-methylpyrazole-4-carboxamide is CNC(=O)c1cnn(CC(O)[C@H]2CC[C@H]3C4CCC(CC[C@]23C)[C@@]2(C)CC[C@@](C)(O)C[C@H]2CC4)c1.
What is the InChIKey of 1-[2-hydroxy-2-[(2R,5R,7R,11S,14S,15S)-5-hydroxy-2,5,15-trimethyl-14-tetracyclo[8.7.2.02,7.011,15]nonadecanyl]ethyl]-N-methylpyrazole-4-carboxamide?
The InChIKey is KDINKRCHOKKGHD-USZFSTNRSA-N. The full InChI is InChI=1S/C29H47N3O3/c1-27(35)13-14-28(2)21-7-5-19(6-8-22(28)15-27)23-9-10-24(29(23,3)12-11-21)25(33)18-32-17-20(16-31-32)26(34)30-4/h16-17,19,21-25,33,35H,5-15,18H2,1-4H3,(H,30,34)/t19?,21?,22-,23+,24-,25?,27-,28-,29+/m1/s1.
What are the key properties of 1-[2-hydroxy-2-[(2R,5R,7R,11S,14S,15S)-5-hydroxy-2,5,15-trimethyl-14-tetracyclo[8.7.2.02,7.011,15]nonadecanyl]ethyl]-N-methylpyrazole-4-carboxamide?
1-[2-hydroxy-2-[(2R,5R,7R,11S,14S,15S)-5-hydroxy-2,5,15-trimethyl-14-tetracyclo[8.7.2.02,7.011,15]nonadecanyl]ethyl]-N-methylpyrazole-4-carboxamide has a molecular weight of 485.71 g/mol, XLogP of 4.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-2-[(2R,5R,7R,11S,14S,15S)-5-hydroxy-2,5,15-trimethyl-14-tetracyclo[8.7.2.02,7.011,15]nonadecanyl]ethyl]-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 163703841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).