4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide;molecular hydrogen

C20H27FN4O5 — CID 160503573

IUPAC4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide;molecular hydrogen
SMILESCOCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2OC)CC1.[H][H]
InChIInChI=1S/C20H25FN4O5.H2/c1-28-11-30-13-8-6-12(7-9-13)23-20(27)18-15(10-22-25-18)24-19(26)17-14(21)4-3-5-16(17)29-2;/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,22,25)(H,23,27)(H,24,26);1H
InChIKeyQSCKQDBJVHBLLK-UHFFFAOYSA-N
MW422.46 g/mol
LogP2.72
Rot. Bonds8

About 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide;molecular hydrogen

4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide;molecular hydrogen (PubChem CID 160503573) has the molecular formula C20H27FN4O5 and a molecular weight of 422.46 g/mol. Its IUPAC name is 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide;molecular hydrogen
PubChem CID160503573
Molecular FormulaC20H27FN4O5
Molecular Weight422.46 g/mol
Exact Mass422.20
IUPAC Name4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide;molecular hydrogen
SMILESCOCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2OC)CC1.[H][H]
InChIInChI=1S/C20H25FN4O5.H2/c1-28-11-30-13-8-6-12(7-9-13)23-20(27)18-15(10-22-25-18)24-19(26)17-14(21)4-3-5-16(17)29-2;/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,22,25)(H,23,27)(H,24,26);1H
InChIKeyQSCKQDBJVHBLLK-UHFFFAOYSA-N
XLogP2.72
TPSA114.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide;molecular hydrogen?
The IUPAC name of 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide;molecular hydrogen (CID 160503573) is 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide;molecular hydrogen.
What is the SMILES notation for 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide;molecular hydrogen?
The canonical SMILES for 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide;molecular hydrogen is COCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2OC)CC1.[H][H].
What is the InChIKey of 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide;molecular hydrogen?
The InChIKey is QSCKQDBJVHBLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O5.H2/c1-28-11-30-13-8-6-12(7-9-13)23-20(27)18-15(10-22-25-18)24-19(26)17-14(21)4-3-5-16(17)29-2;/h3-5,10,12-13H,6-9,11H2,1-2H3,(H,22,25)(H,23,27)(H,24,26);1H.
What are the key properties of 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide;molecular hydrogen?
4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide;molecular hydrogen has a molecular weight of 422.46 g/mol, XLogP of 2.72, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-6-methoxybenzoyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide;molecular hydrogen is sourced from PubChem (CID 160503573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).