5-(4-fluorophenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide

C19H25FN4O2 — CID 24642392

IUPAC5-(4-fluorophenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)CN1CCOC(CNC(=O)c2cn[nH]c2-c2ccc(F)cc2)C1
InChIInChI=1S/C19H25FN4O2/c1-13(2)11-24-7-8-26-16(12-24)9-21-19(25)17-10-22-23-18(17)14-3-5-15(20)6-4-14/h3-6,10,13,16H,7-9,11-12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyWGNUGDXHXGPQPT-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.30
Rot. Bonds6

About 5-(4-fluorophenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide

5-(4-fluorophenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 24642392) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID24642392
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name5-(4-fluorophenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCC(C)CN1CCOC(CNC(=O)c2cn[nH]c2-c2ccc(F)cc2)C1
InChIInChI=1S/C19H25FN4O2/c1-13(2)11-24-7-8-26-16(12-24)9-21-19(25)17-10-22-23-18(17)14-3-5-15(20)6-4-14/h3-6,10,13,16H,7-9,11-12H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyWGNUGDXHXGPQPT-UHFFFAOYSA-N
XLogP2.30
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide (CID 24642392) is 5-(4-fluorophenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide is CC(C)CN1CCOC(CNC(=O)c2cn[nH]c2-c2ccc(F)cc2)C1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is WGNUGDXHXGPQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-13(2)11-24-7-8-26-16(12-24)9-21-19(25)17-10-22-23-18(17)14-3-5-15(20)6-4-14/h3-6,10,13,16H,7-9,11-12H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 5-(4-fluorophenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide?
5-(4-fluorophenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 360.43 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 24642392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).