5-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide

C19H23N5O2S — CID 42951527

IUPAC5-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide
SMILESCN1CCN(C(CNC(=O)c2cc(-c3ccco3)[nH]n2)c2cccs2)CC1
InChIInChI=1S/C19H23N5O2S/c1-23-6-8-24(9-7-23)16(18-5-3-11-27-18)13-20-19(25)15-12-14(21-22-15)17-4-2-10-26-17/h2-5,10-12,16H,6-9,13H2,1H3,(H,20,25)(H,21,22)
InChIKeyGJFIDSFMOZPRNB-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.45
Rot. Bonds6

About 5-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide (PubChem CID 42951527) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide
PubChem CID42951527
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name5-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide
SMILESCN1CCN(C(CNC(=O)c2cc(-c3ccco3)[nH]n2)c2cccs2)CC1
InChIInChI=1S/C19H23N5O2S/c1-23-6-8-24(9-7-23)16(18-5-3-11-27-18)13-20-19(25)15-12-14(21-22-15)17-4-2-10-26-17/h2-5,10-12,16H,6-9,13H2,1H3,(H,20,25)(H,21,22)
InChIKeyGJFIDSFMOZPRNB-UHFFFAOYSA-N
XLogP2.45
TPSA77.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 167839511
5-(furan-2-yl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1H-pyrazole-3-carboxamide
CID 167763561
5-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]pyrazine-2-carboxamide
CID 47007671
N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 94219223
5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 25353049
5-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51075751
5-(furan-2-yl)-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119502872
N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513917
2-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 94670619
2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]acetamide
CID 110622459
5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide
CID 78854308
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-5-[4-(2-methylpropoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 35582828

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide (CID 42951527) is 5-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide is CN1CCN(C(CNC(=O)c2cc(-c3ccco3)[nH]n2)c2cccs2)CC1.
What is the InChIKey of 5-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is GJFIDSFMOZPRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-23-6-8-24(9-7-23)16(18-5-3-11-27-18)13-20-19(25)15-12-14(21-22-15)17-4-2-10-26-17/h2-5,10-12,16H,6-9,13H2,1H3,(H,20,25)(H,21,22).
What are the key properties of 5-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42951527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).