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

C20H28N4O2 — CID 25029479

IUPAC4-(azepan-1-yl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
SMILESCOc1cccc(-c2cc(NC(=O)CCCN3CCCCCC3)n[nH]2)c1
InChIInChI=1S/C20H28N4O2/c1-26-17-9-6-8-16(14-17)18-15-19(23-22-18)21-20(25)10-7-13-24-11-4-2-3-5-12-24/h6,8-9,14-15H,2-5,7,10-13H2,1H3,(H2,21,22,23,25)
InChIKeyMRAJZHKSHRZCHJ-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.68
Rot. Bonds7

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

4-(azepan-1-yl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]butanamide (PubChem CID 25029479) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
PubChem CID25029479
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name4-(azepan-1-yl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
SMILESCOc1cccc(-c2cc(NC(=O)CCCN3CCCCCC3)n[nH]2)c1
InChIInChI=1S/C20H28N4O2/c1-26-17-9-6-8-16(14-17)18-15-19(23-22-18)21-20(25)10-7-13-24-11-4-2-3-5-12-24/h6,8-9,14-15H,2-5,7,10-13H2,1H3,(H2,21,22,23,25)
InChIKeyMRAJZHKSHRZCHJ-UHFFFAOYSA-N
XLogP3.68
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]-4-morpholin-4-ylbutanamide
CID 25029480
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 25029711
4-pyrrolidin-1-yl-N-[5-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide
CID 59173864
N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 44621198
formic acid;N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 67188676
N-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173768
N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59174009
N-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59173963
N-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide
CID 59840445
N-[5-(3-chloro-2-methylphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59173854
N-[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-3-yl]-4-(1,4-oxazepan-4-yl)butanamide
CID 59173856
4-pyrrolidin-1-yl-N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]butanamide
CID 59173832

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]butanamide?
The IUPAC name of 4-(azepan-1-yl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]butanamide (CID 25029479) is 4-(azepan-1-yl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]butanamide.
What is the SMILES notation for 4-(azepan-1-yl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]butanamide?
The canonical SMILES for 4-(azepan-1-yl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]butanamide is COc1cccc(-c2cc(NC(=O)CCCN3CCCCCC3)n[nH]2)c1.
What is the InChIKey of 4-(azepan-1-yl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]butanamide?
The InChIKey is MRAJZHKSHRZCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-26-17-9-6-8-16(14-17)18-15-19(23-22-18)21-20(25)10-7-13-24-11-4-2-3-5-12-24/h6,8-9,14-15H,2-5,7,10-13H2,1H3,(H2,21,22,23,25).
What are the key properties of 4-(azepan-1-yl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]butanamide?
4-(azepan-1-yl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]butanamide has a molecular weight of 356.47 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]butanamide is sourced from PubChem (CID 25029479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).