N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide

C21H28N4O3 — CID 110164801

IUPACN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)nn1-c1ccccc1
InChIInChI=1S/C21H28N4O3/c1-15-14-17(22-25(15)16-6-4-3-5-7-16)21(27)23(2)18-8-9-19(20(18)26)24-10-12-28-13-11-24/h3-7,14,18-20,26H,8-13H2,1-2H3/t18-,19-,20-/m1/s1
InChIKeyLNSVZFFYMRTRAT-VAMGGRTRSA-N
MW384.48 g/mol
LogP1.48
Rot. Bonds4

About N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide

N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide (PubChem CID 110164801) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
PubChem CID110164801
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)nn1-c1ccccc1
InChIInChI=1S/C21H28N4O3/c1-15-14-17(22-25(15)16-6-4-3-5-7-16)21(27)23(2)18-8-9-19(20(18)26)24-10-12-28-13-11-24/h3-7,14,18-20,26H,8-13H2,1-2H3/t18-,19-,20-/m1/s1
InChIKeyLNSVZFFYMRTRAT-VAMGGRTRSA-N
XLogP1.48
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide (CID 110164801) is N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)nn1-c1ccccc1.
What is the InChIKey of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is LNSVZFFYMRTRAT-VAMGGRTRSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15-14-17(22-25(15)16-6-4-3-5-7-16)21(27)23(2)18-8-9-19(20(18)26)24-10-12-28-13-11-24/h3-7,14,18-20,26H,8-13H2,1-2H3/t18-,19-,20-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide?
N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 110164801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).