N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)propanamide

C24H28N4O2 — CID 90555324

IUPACN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc1
InChIInChI=1S/C24H28N4O2/c1-30-22-9-6-18(7-10-22)8-11-24(29)26-17-20-16-23(19-12-14-25-15-13-19)28(27-20)21-4-2-3-5-21/h6-7,9-10,12-16,21H,2-5,8,11,17H2,1H3,(H,26,29)
InChIKeyCEPRLGAYZZSQHI-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.32
Rot. Bonds8

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

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 90555324) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)propanamide
PubChem CID90555324
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc1
InChIInChI=1S/C24H28N4O2/c1-30-22-9-6-18(7-10-22)8-11-24(29)26-17-20-16-23(19-12-14-25-15-13-19)28(27-20)21-4-2-3-5-21/h6-7,9-10,12-16,21H,2-5,8,11,17H2,1H3,(H,26,29)
InChIKeyCEPRLGAYZZSQHI-UHFFFAOYSA-N
XLogP4.32
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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]-2-(2-methoxyphenoxy)acetamide
CID 90555336
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 90555311
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanecarboxamide
CID 90555260
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]-2-(2-fluorophenoxy)acetamide
CID 71797569
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 90555393
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,4,5-triethoxybenzamide
CID 90555403
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 90555343
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]-2-ethoxynaphthalene-1-carboxamide
CID 90555383
1-[2-(4-methoxyphenyl)ethyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 71797550

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)propanamide (CID 90555324) is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is CEPRLGAYZZSQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-30-22-9-6-18(7-10-22)8-11-24(29)26-17-20-16-23(19-12-14-25-15-13-19)28(27-20)21-4-2-3-5-21/h6-7,9-10,12-16,21H,2-5,8,11,17H2,1H3,(H,26,29).
What are the key properties of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)propanamide?
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 404.51 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 90555324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).