1-ethyl-N-[(1R,2R,4S)-2-hydroxy-4-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide

C19H31N5O4 — CID 156584290

IUPAC1-ethyl-N-[(1R,2R,4S)-2-hydroxy-4-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N[C@@H]2C[C@H](C(=O)NCCCN3CCOCC3)C[C@H]2O)cn1
InChIInChI=1S/C19H31N5O4/c1-2-24-13-15(12-21-24)19(27)22-16-10-14(11-17(16)25)18(26)20-4-3-5-23-6-8-28-9-7-23/h12-14,16-17,25H,2-11H2,1H3,(H,20,26)(H,22,27)/t14-,16+,17+/m0/s1
InChIKeyCHEFRFSEZIDVIS-USXIJHARSA-N
MW393.49 g/mol
LogP-0.39
Rot. Bonds8

About 1-ethyl-N-[(1R,2R,4S)-2-hydroxy-4-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide

1-ethyl-N-[(1R,2R,4S)-2-hydroxy-4-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide (PubChem CID 156584290) has the molecular formula C19H31N5O4 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-ethyl-N-[(1R,2R,4S)-2-hydroxy-4-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(1R,2R,4S)-2-hydroxy-4-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide
PubChem CID156584290
Molecular FormulaC19H31N5O4
Molecular Weight393.49 g/mol
Exact Mass393.24
IUPAC Name1-ethyl-N-[(1R,2R,4S)-2-hydroxy-4-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N[C@@H]2C[C@H](C(=O)NCCCN3CCOCC3)C[C@H]2O)cn1
InChIInChI=1S/C19H31N5O4/c1-2-24-13-15(12-21-24)19(27)22-16-10-14(11-17(16)25)18(26)20-4-3-5-23-6-8-28-9-7-23/h12-14,16-17,25H,2-11H2,1H3,(H,20,26)(H,22,27)/t14-,16+,17+/m0/s1
InChIKeyCHEFRFSEZIDVIS-USXIJHARSA-N
XLogP-0.39
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(1R,2R,4S)-2-hydroxy-4-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[(1R,2R,4S)-2-hydroxy-4-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide (CID 156584290) is 1-ethyl-N-[(1R,2R,4S)-2-hydroxy-4-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(1R,2R,4S)-2-hydroxy-4-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[(1R,2R,4S)-2-hydroxy-4-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide is CCn1cc(C(=O)N[C@@H]2C[C@H](C(=O)NCCCN3CCOCC3)C[C@H]2O)cn1.
What is the InChIKey of 1-ethyl-N-[(1R,2R,4S)-2-hydroxy-4-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide?
The InChIKey is CHEFRFSEZIDVIS-USXIJHARSA-N. The full InChI is InChI=1S/C19H31N5O4/c1-2-24-13-15(12-21-24)19(27)22-16-10-14(11-17(16)25)18(26)20-4-3-5-23-6-8-28-9-7-23/h12-14,16-17,25H,2-11H2,1H3,(H,20,26)(H,22,27)/t14-,16+,17+/m0/s1.
What are the key properties of 1-ethyl-N-[(1R,2R,4S)-2-hydroxy-4-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide?
1-ethyl-N-[(1R,2R,4S)-2-hydroxy-4-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide has a molecular weight of 393.49 g/mol, XLogP of -0.39, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1R,2R,4S)-2-hydroxy-4-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyrazole-4-carboxamide is sourced from PubChem (CID 156584290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).