N-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide

C19H25FN4O3 — CID 59173856

IUPACN-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide
SMILESCOc1ccc(-c2cc(NC(=O)CCCN3CCCOCC3)n[nH]2)cc1F
InChIInChI=1S/C19H25FN4O3/c1-26-17-6-5-14(12-15(17)20)16-13-18(23-22-16)21-19(25)4-2-7-24-8-3-10-27-11-9-24/h5-6,12-13H,2-4,7-11H2,1H3,(H2,21,22,23,25)
InChIKeyVLHBZIQUFUIUQC-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.67
Rot. Bonds7

About N-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide

N-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide (PubChem CID 59173856) has the molecular formula C19H25FN4O3 and a molecular weight of 376.43 g/mol. Its IUPAC name is N-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide.

Molecular Properties

Compound NameN-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide
PubChem CID59173856
Molecular FormulaC19H25FN4O3
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC NameN-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide
SMILESCOc1ccc(-c2cc(NC(=O)CCCN3CCCOCC3)n[nH]2)cc1F
InChIInChI=1S/C19H25FN4O3/c1-26-17-6-5-14(12-15(17)20)16-13-18(23-22-16)21-19(25)4-2-7-24-8-3-10-27-11-9-24/h5-6,12-13H,2-4,7-11H2,1H3,(H2,21,22,23,25)
InChIKeyVLHBZIQUFUIUQC-UHFFFAOYSA-N
XLogP2.67
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide
CID 25029480
N-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59173963
N-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173768
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 25029711
4-(azepan-1-yl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
CID 25029479
4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
CID 59173832
N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 44621198
N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59174009
4-pyrrolidin-1-yl-N-[5-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide
CID 59173864
5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pentanamide
CID 59174008
4-piperidin-1-yl-N-[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-3-yl]butanamide
CID 59173772
formic acid;N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 67188676

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide?
The IUPAC name of N-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide (CID 59173856) is N-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide.
What is the SMILES notation for N-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide?
The canonical SMILES for N-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide is COc1ccc(-c2cc(NC(=O)CCCN3CCCOCC3)n[nH]2)cc1F.
What is the InChIKey of N-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide?
The InChIKey is VLHBZIQUFUIUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3/c1-26-17-6-5-14(12-15(17)20)16-13-18(23-22-16)21-19(25)4-2-7-24-8-3-10-27-11-9-24/h5-6,12-13H,2-4,7-11H2,1H3,(H2,21,22,23,25).
What are the key properties of N-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide?
N-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide has a molecular weight of 376.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide is sourced from PubChem (CID 59173856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).