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

C19H26N4O3 — CID 59173888

IUPACN-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide
SMILESCOc1ccc(-c2cc(NC(=O)CCCN3CCCOCC3)n[nH]2)cc1
InChIInChI=1S/C19H26N4O3/c1-25-16-7-5-15(6-8-16)17-14-18(22-21-17)20-19(24)4-2-9-23-10-3-12-26-13-11-23/h5-8,14H,2-4,9-13H2,1H3,(H2,20,21,22,24)
InChIKeyXXYWJJJEDMYQLQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.53
Rot. Bonds7

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

N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide (PubChem CID 59173888) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide
PubChem CID59173888
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide
SMILESCOc1ccc(-c2cc(NC(=O)CCCN3CCCOCC3)n[nH]2)cc1
InChIInChI=1S/C19H26N4O3/c1-25-16-7-5-15(6-8-16)17-14-18(22-21-17)20-19(24)4-2-9-23-10-3-12-26-13-11-23/h5-8,14H,2-4,9-13H2,1H3,(H2,20,21,22,24)
InChIKeyXXYWJJJEDMYQLQ-UHFFFAOYSA-N
XLogP2.53
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide (CID 59173888) is N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide is COc1ccc(-c2cc(NC(=O)CCCN3CCCOCC3)n[nH]2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide?
The InChIKey is XXYWJJJEDMYQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-25-16-7-5-15(6-8-16)17-14-18(22-21-17)20-19(24)4-2-9-23-10-3-12-26-13-11-23/h5-8,14H,2-4,9-13H2,1H3,(H2,20,21,22,24).
What are the key properties of N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide?
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide has a molecular weight of 358.44 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide is sourced from PubChem (CID 59173888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).