N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-pyrazol-1-ylphenyl)acetamide

C21H23N3O2 — CID 86998215

IUPACN-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2cccn2)cc1)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C21H23N3O2/c25-21(15-17-8-10-19(11-9-17)24-13-4-12-22-24)23(18-5-1-2-6-18)16-20-7-3-14-26-20/h3-4,7-14,18H,1-2,5-6,15-16H2
InChIKeyMKQQAARTWCFJAX-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.98
Rot. Bonds6

About N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-pyrazol-1-ylphenyl)acetamide

N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-pyrazol-1-ylphenyl)acetamide (PubChem CID 86998215) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-pyrazol-1-ylphenyl)acetamide
PubChem CID86998215
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2cccn2)cc1)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C21H23N3O2/c25-21(15-17-8-10-19(11-9-17)24-13-4-12-22-24)23(18-5-1-2-6-18)16-20-7-3-14-26-20/h3-4,7-14,18H,1-2,5-6,15-16H2
InChIKeyMKQQAARTWCFJAX-UHFFFAOYSA-N
XLogP3.98
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxan-4-yl)acetamide
CID 121131349
N-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
CID 46472604
N-(azepan-4-yl)-N-methyl-2-(4-pyrazol-1-ylphenyl)acetamide
CID 154863649
3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)butanamide
CID 54871048
(2R)-N-cyclopentyl-N-(furan-2-ylmethyl)piperidine-2-carboxamide
CID 104913327
N-[1-[2-(1,3-dioxan-4-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 66659925
N-cyclopropyl-N-(furan-2-ylmethyl)-3-sulfanylpropanamide
CID 107026655
2-(2-bromo-4,5-diethoxyphenyl)-N-cyclopentyl-N-(furan-2-ylmethyl)acetamide
CID 55587746
5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 60738196
3-(furan-2-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 30102772
5-amino-N-cyclopentyl-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 82012609
N-cyclopropyl-N-(furan-2-ylmethyl)-4-hydroxybutanamide
CID 79200570

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-pyrazol-1-ylphenyl)acetamide (CID 86998215) is N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-pyrazol-1-ylphenyl)acetamide is O=C(Cc1ccc(-n2cccn2)cc1)N(Cc1ccco1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is MKQQAARTWCFJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-21(15-17-8-10-19(11-9-17)24-13-4-12-22-24)23(18-5-1-2-6-18)16-20-7-3-14-26-20/h3-4,7-14,18H,1-2,5-6,15-16H2.
What are the key properties of N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-pyrazol-1-ylphenyl)acetamide?
N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(furan-2-ylmethyl)-2-(4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 86998215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).