N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,4,5-triethoxybenzamide

C27H34N4O4 — CID 90555403

IUPACN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc(OCC)c1OCC
InChIInChI=1S/C27H34N4O4/c1-4-33-24-15-20(16-25(34-5-2)26(24)35-6-3)27(32)29-18-21-17-23(19-11-13-28-14-12-19)31(30-21)22-9-7-8-10-22/h11-17,22H,4-10,18H2,1-3H3,(H,29,32)
InChIKeyXRRMKYMWBJXHSP-UHFFFAOYSA-N
MW478.59 g/mol
LogP5.19
Rot. Bonds11

About N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,4,5-triethoxybenzamide

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,4,5-triethoxybenzamide (PubChem CID 90555403) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,4,5-triethoxybenzamide
PubChem CID90555403
Molecular FormulaC27H34N4O4
Molecular Weight478.59 g/mol
Exact Mass478.26
IUPAC NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc(OCC)c1OCC
InChIInChI=1S/C27H34N4O4/c1-4-33-24-15-20(16-25(34-5-2)26(24)35-6-3)27(32)29-18-21-17-23(19-11-13-28-14-12-19)31(30-21)22-9-7-8-10-22/h11-17,22H,4-10,18H2,1-3H3,(H,29,32)
InChIKeyXRRMKYMWBJXHSP-UHFFFAOYSA-N
XLogP5.19
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-ethoxynaphthalene-1-carboxamide
CID 90555383
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 90555360
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-yloxybenzamide
CID 90555323
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-methoxybenzamide
CID 90555283
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 90555336
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanecarboxamide
CID 90555260
2-chloro-N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]benzamide
CID 90555288
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-methyl-3-nitrobenzamide
CID 90555329
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide
CID 71797569
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 90555311
1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-phenoxyethyl)urea
CID 90555537
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 90555324

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,4,5-triethoxybenzamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,4,5-triethoxybenzamide (CID 90555403) is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,4,5-triethoxybenzamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc(OCC)c1OCC.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,4,5-triethoxybenzamide?
The InChIKey is XRRMKYMWBJXHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4/c1-4-33-24-15-20(16-25(34-5-2)26(24)35-6-3)27(32)29-18-21-17-23(19-11-13-28-14-12-19)31(30-21)22-9-7-8-10-22/h11-17,22H,4-10,18H2,1-3H3,(H,29,32).
What are the key properties of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,4,5-triethoxybenzamide?
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,4,5-triethoxybenzamide has a molecular weight of 478.59 g/mol, XLogP of 5.19, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,4,5-triethoxybenzamide is sourced from PubChem (CID 90555403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).