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

C22H32N4O2 — CID 24998042

IUPAC5-(azepan-1-yl)-N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]pentanamide
SMILESCOc1ccc(-c2[nH]nc(NC(=O)CCCCN3CCCCCC3)c2C)cc1
InChIInChI=1S/C22H32N4O2/c1-17-21(18-10-12-19(28-2)13-11-18)24-25-22(17)23-20(27)9-5-8-16-26-14-6-3-4-7-15-26/h10-13H,3-9,14-16H2,1-2H3,(H2,23,24,25,27)
InChIKeyVSCCIMABJBSTPH-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.38
Rot. Bonds8

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

5-(azepan-1-yl)-N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]pentanamide (PubChem CID 24998042) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]pentanamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]pentanamide
PubChem CID24998042
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name5-(azepan-1-yl)-N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]pentanamide
SMILESCOc1ccc(-c2[nH]nc(NC(=O)CCCCN3CCCCCC3)c2C)cc1
InChIInChI=1S/C22H32N4O2/c1-17-21(18-10-12-19(28-2)13-11-18)24-25-22(17)23-20(27)9-5-8-16-26-14-6-3-4-7-15-26/h10-13H,3-9,14-16H2,1-2H3,(H2,23,24,25,27)
InChIKeyVSCCIMABJBSTPH-UHFFFAOYSA-N
XLogP4.38
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 59174000
N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 25029711
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylbutanamide
CID 13185367
4-(azepan-1-yl)-N-[5-(3-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
CID 25029479
N-[4-(azepan-1-yl)butyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70712358
N-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide
CID 59840445
N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59174009
N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 44621198
3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 70721553
formic acid;N-[5-(5-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutanamide
CID 67188676
2-(4-methoxyphenyl)-4-methyl-N-(3-piperidin-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 30540770
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 5-(azepan-1-yl)-N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]pentanamide?
The IUPAC name of 5-(azepan-1-yl)-N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]pentanamide (CID 24998042) is 5-(azepan-1-yl)-N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]pentanamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]pentanamide?
The canonical SMILES for 5-(azepan-1-yl)-N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]pentanamide is COc1ccc(-c2[nH]nc(NC(=O)CCCCN3CCCCCC3)c2C)cc1.
What is the InChIKey of 5-(azepan-1-yl)-N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]pentanamide?
The InChIKey is VSCCIMABJBSTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-17-21(18-10-12-19(28-2)13-11-18)24-25-22(17)23-20(27)9-5-8-16-26-14-6-3-4-7-15-26/h10-13H,3-9,14-16H2,1-2H3,(H2,23,24,25,27).
What are the key properties of 5-(azepan-1-yl)-N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]pentanamide?
5-(azepan-1-yl)-N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]pentanamide has a molecular weight of 384.52 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]pentanamide is sourced from PubChem (CID 24998042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).