N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide

C25H29N5O3 — CID 37376049

IUPACN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(C2CCCC2)nn1-c1ccccc1
InChIInChI=1S/C25H29N5O3/c31-24(18-28-12-14-29(15-13-28)25(32)22-11-6-16-33-22)26-23-17-21(19-7-4-5-8-19)27-30(23)20-9-2-1-3-10-20/h1-3,6,9-11,16-17,19H,4-5,7-8,12-15,18H2,(H,26,31)
InChIKeyWBQVXGQKTJMFIH-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.52
Rot. Bonds6

About N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide

N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 37376049) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID37376049
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC NameN-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(C2CCCC2)nn1-c1ccccc1
InChIInChI=1S/C25H29N5O3/c31-24(18-28-12-14-29(15-13-28)25(32)22-11-6-16-33-22)26-23-17-21(19-7-4-5-8-19)27-30(23)20-9-2-1-3-10-20/h1-3,6,9-11,16-17,19H,4-5,7-8,12-15,18H2,(H,26,31)
InChIKeyWBQVXGQKTJMFIH-UHFFFAOYSA-N
XLogP3.52
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 36672610
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 37206869
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 55551550
2-amino-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
CID 119268734
2-(4-aminophenyl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide
CID 119684822
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 111543790
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)acetamide
CID 56520964
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]acetamide
CID 95349786
2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
CID 2778369
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]acetamide
CID 55535112
N'-acetyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetohydrazide
CID 8548952

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide (CID 37376049) is N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(C2CCCC2)nn1-c1ccccc1.
What is the InChIKey of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is WBQVXGQKTJMFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c31-24(18-28-12-14-29(15-13-28)25(32)22-11-6-16-33-22)26-23-17-21(19-7-4-5-8-19)27-30(23)20-9-2-1-3-10-20/h1-3,6,9-11,16-17,19H,4-5,7-8,12-15,18H2,(H,26,31).
What are the key properties of N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide?
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 447.54 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 37376049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).