1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide

C26H35N5O2 — CID 46358028

IUPAC1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(c2c(-n3c(C)ccc3C)c(C)nn2-c2ccccc2)CC1
InChIInChI=1S/C26H35N5O2/c1-19-11-12-20(2)30(19)24-21(3)28-31(23-9-6-5-7-10-23)26(24)29-16-13-22(14-17-29)25(32)27-15-8-18-33-4/h5-7,9-12,22H,8,13-18H2,1-4H3,(H,27,32)
InChIKeyYFVUKULAKJRRMD-UHFFFAOYSA-N
MW449.60 g/mol
LogP3.96
Rot. Bonds8

About 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide

1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide (PubChem CID 46358028) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide
PubChem CID46358028
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(c2c(-n3c(C)ccc3C)c(C)nn2-c2ccccc2)CC1
InChIInChI=1S/C26H35N5O2/c1-19-11-12-20(2)30(19)24-21(3)28-31(23-9-6-5-7-10-23)26(24)29-16-13-22(14-17-29)25(32)27-15-8-18-33-4/h5-7,9-12,22H,8,13-18H2,1-4H3,(H,27,32)
InChIKeyYFVUKULAKJRRMD-UHFFFAOYSA-N
XLogP3.96
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-methylpiperidine-4-carboxamide
CID 22581101
1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 46358029
1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 22581091
1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 22581077
N-(3-methoxypropyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 651470
1-(4-acetamido-3-methyl-1-phenylpyrazol-5-yl)-N-[3-(azepan-1-yl)propyl]piperidine-4-carboxamide
CID 22581292
1-(3,5-dimethyl-1-phenylpyrazole-4-carbonyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 78871295
N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide
CID 55909398
1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17152501
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
N-(3-methoxypropyl)-1-(3-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide
CID 46333914
1-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55974858

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide (CID 46358028) is 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(c2c(-n3c(C)ccc3C)c(C)nn2-c2ccccc2)CC1.
What is the InChIKey of 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is YFVUKULAKJRRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-19-11-12-20(2)30(19)24-21(3)28-31(23-9-6-5-7-10-23)26(24)29-16-13-22(14-17-29)25(32)27-15-8-18-33-4/h5-7,9-12,22H,8,13-18H2,1-4H3,(H,27,32).
What are the key properties of 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide?
1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(3-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 46358028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).