N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide

C21H30N4O2 — CID 25029475

IUPACN-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide
SMILESCOc1ccc(-c2[nH]nc(NC(=O)CCCCN3CCCCC3)c2C)cc1
InChIInChI=1S/C21H30N4O2/c1-16-20(17-9-11-18(27-2)12-10-17)23-24-21(16)22-19(26)8-4-7-15-25-13-5-3-6-14-25/h9-12H,3-8,13-15H2,1-2H3,(H2,22,23,24,26)
InChIKeyGQCWFDPOTSZPCD-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.99
Rot. Bonds8

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

N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide (PubChem CID 25029475) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide
PubChem CID25029475
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide
SMILESCOc1ccc(-c2[nH]nc(NC(=O)CCCCN3CCCCC3)c2C)cc1
InChIInChI=1S/C21H30N4O2/c1-16-20(17-9-11-18(27-2)12-10-17)23-24-21(16)22-19(26)8-4-7-15-25-13-5-3-6-14-25/h9-12H,3-8,13-15H2,1-2H3,(H2,22,23,24,26)
InChIKeyGQCWFDPOTSZPCD-UHFFFAOYSA-N
XLogP3.99
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.99
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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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide (CID 25029475) is N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide is COc1ccc(-c2[nH]nc(NC(=O)CCCCN3CCCCC3)c2C)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide?
The InChIKey is GQCWFDPOTSZPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-16-20(17-9-11-18(27-2)12-10-17)23-24-21(16)22-19(26)8-4-7-15-25-13-5-3-6-14-25/h9-12H,3-8,13-15H2,1-2H3,(H2,22,23,24,26).
What are the key properties of N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide?
N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide has a molecular weight of 370.50 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]-5-piperidin-1-ylpentanamide is sourced from PubChem (CID 25029475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).