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

C14H22N4O3 — CID 110127542

IUPACN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)n1
InChIInChI=1S/C14H22N4O3/c1-17-5-4-11(16-17)14(20)15-10-2-3-12(13(10)19)18-6-8-21-9-7-18/h4-5,10,12-13,19H,2-3,6-9H2,1H3,(H,15,20)/t10-,12-,13-/m1/s1
InChIKeyQHAWWOFZIQRBPC-RAIGVLPGSA-N
MW294.35 g/mol
LogP-0.63
Rot. Bonds3

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

N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-1-methylpyrazole-3-carboxamide (PubChem CID 110127542) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-1-methylpyrazole-3-carboxamide
PubChem CID110127542
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)n1
InChIInChI=1S/C14H22N4O3/c1-17-5-4-11(16-17)14(20)15-10-2-3-12(13(10)19)18-6-8-21-9-7-18/h4-5,10,12-13,19H,2-3,6-9H2,1H3,(H,15,20)/t10-,12-,13-/m1/s1
InChIKeyQHAWWOFZIQRBPC-RAIGVLPGSA-N
XLogP-0.63
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 5-0.63
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-ylcyclopentyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-1-methylpyrazole-3-carboxamide (CID 110127542) is N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)N[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)n1.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is QHAWWOFZIQRBPC-RAIGVLPGSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-17-5-4-11(16-17)14(20)15-10-2-3-12(13(10)19)18-6-8-21-9-7-18/h4-5,10,12-13,19H,2-3,6-9H2,1H3,(H,15,20)/t10-,12-,13-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-1-methylpyrazole-3-carboxamide?
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of -0.63, 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-ylcyclopentyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110127542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).