4-(furan-2-carbonyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide

C21H23N5O4 — CID 55836335

IUPAC4-(furan-2-carbonyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(OCCn2cccn2)c1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H23N5O4/c27-20(19-6-2-14-30-19)24-9-11-25(12-10-24)21(28)23-17-4-1-5-18(16-17)29-15-13-26-8-3-7-22-26/h1-8,14,16H,9-13,15H2,(H,23,28)
InChIKeyNUCDIIQKERTESY-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.55
Rot. Bonds6

About 4-(furan-2-carbonyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide

4-(furan-2-carbonyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide (PubChem CID 55836335) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide
PubChem CID55836335
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name4-(furan-2-carbonyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(OCCn2cccn2)c1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H23N5O4/c27-20(19-6-2-14-30-19)24-9-11-25(12-10-24)21(28)23-17-4-1-5-18(16-17)29-15-13-26-8-3-7-22-26/h1-8,14,16H,9-13,15H2,(H,23,28)
InChIKeyNUCDIIQKERTESY-UHFFFAOYSA-N
XLogP2.55
TPSA92.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methoxybenzoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide
CID 55836464
4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide
CID 55835823
N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 47050346
2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide
CID 55833259
4-phenyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55767479
4-(furan-2-carbonyl)-N-(4-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 108886897
N-(2-methylpropyl)-N'-[3-(2-pyrazol-1-ylethoxy)phenyl]oxamide
CID 87039258
N-[3-(pyrazol-1-ylmethyl)phenyl]morpholine-4-carboxamide
CID 34688755
N-ethyl-4-(furan-2-carbonyl)-N'-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide
CID 111167297
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 52627337
1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 95157995
1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 55835952

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(furan-2-carbonyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide (CID 55836335) is 4-(furan-2-carbonyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(furan-2-carbonyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(furan-2-carbonyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide is O=C(Nc1cccc(OCCn2cccn2)c1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 4-(furan-2-carbonyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide?
The InChIKey is NUCDIIQKERTESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c27-20(19-6-2-14-30-19)24-9-11-25(12-10-24)21(28)23-17-4-1-5-18(16-17)29-15-13-26-8-3-7-22-26/h1-8,14,16H,9-13,15H2,(H,23,28).
What are the key properties of 4-(furan-2-carbonyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide?
4-(furan-2-carbonyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 55836335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).