N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-1-methylpyrazole-3-carboxamide

C15H24N4O3 — CID 110128062

IUPACN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)n1
InChIInChI=1S/C15H24N4O3/c1-18-6-5-12(17-18)15(21)16-11-3-2-4-13(14(11)20)19-7-9-22-10-8-19/h5-6,11,13-14,20H,2-4,7-10H2,1H3,(H,16,21)/t11-,13-,14-/m1/s1
InChIKeyNEIIBFMBZPPSRH-MRVWCRGKSA-N
MW308.38 g/mol
LogP-0.24
Rot. Bonds3

About N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-1-methylpyrazole-3-carboxamide

N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-1-methylpyrazole-3-carboxamide (PubChem CID 110128062) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-1-methylpyrazole-3-carboxamide
PubChem CID110128062
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)n1
InChIInChI=1S/C15H24N4O3/c1-18-6-5-12(17-18)15(21)16-11-3-2-4-13(14(11)20)19-7-9-22-10-8-19/h5-6,11,13-14,20H,2-4,7-10H2,1H3,(H,16,21)/t11-,13-,14-/m1/s1
InChIKeyNEIIBFMBZPPSRH-MRVWCRGKSA-N
XLogP-0.24
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-1-methylpyrazole-3-carboxamide (CID 110128062) is N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)N[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)n1.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is NEIIBFMBZPPSRH-MRVWCRGKSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-18-6-5-12(17-18)15(21)16-11-3-2-4-13(14(11)20)19-7-9-22-10-8-19/h5-6,11,13-14,20H,2-4,7-10H2,1H3,(H,16,21)/t11-,13-,14-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-1-methylpyrazole-3-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclohexyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110128062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).