5-(furan-2-yl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]-4H-pyrazole-3-carboxamide

C19H21N5O2 — CID 58867743

IUPAC5-(furan-2-yl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]-4H-pyrazole-3-carboxamide
SMILESCNC1CCN(c2ccc(NC(=O)C3=NN=C(c4ccco4)C3)cc2)C1
InChIInChI=1S/C19H21N5O2/c1-20-14-8-9-24(12-14)15-6-4-13(5-7-15)21-19(25)17-11-16(22-23-17)18-3-2-10-26-18/h2-7,10,14,20H,8-9,11-12H2,1H3,(H,21,25)
InChIKeyOQTGKYVWBBIYRV-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.27
Rot. Bonds5

About 5-(furan-2-yl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]-4H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]-4H-pyrazole-3-carboxamide (PubChem CID 58867743) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]-4H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]-4H-pyrazole-3-carboxamide
PubChem CID58867743
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name5-(furan-2-yl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]-4H-pyrazole-3-carboxamide
SMILESCNC1CCN(c2ccc(NC(=O)C3=NN=C(c4ccco4)C3)cc2)C1
InChIInChI=1S/C19H21N5O2/c1-20-14-8-9-24(12-14)15-6-4-13(5-7-15)21-19(25)17-11-16(22-23-17)18-3-2-10-26-18/h2-7,10,14,20H,8-9,11-12H2,1H3,(H,21,25)
InChIKeyOQTGKYVWBBIYRV-UHFFFAOYSA-N
XLogP2.27
TPSA82.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(4-cyclopentyloxyphenyl)-3-[4-[(3S)-3-(methylamino)pyrrolidin-1-yl]phenyl]urea
CID 67147888
5-(4-cyclohexylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]furan-2-carboxamide
CID 58964248
5-(3,4-dimethylphenyl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide
CID 58866936
N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]-5-(2-methylsulfanylphenyl)thiophene-2-carboxamide
CID 58866439
N-[4-(4-benzylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 112985405
4-methoxy-N-[4-[4-[[(1R)-2,2,2-trifluoro-1-(furan-2-yl)ethyl]amino]piperidin-1-yl]phenyl]benzamide
CID 26400741
5-[3-(dimethylcarbamoyl)phenyl]-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]thiophene-2-carboxamide
CID 58867268
N-[4-[[[N'-methyl-N-(1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111910606
(3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285994
4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867650
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 56556326
3-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-phenylpyrazole-5-carboxamide
CID 24586512

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]-4H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]-4H-pyrazole-3-carboxamide (CID 58867743) is 5-(furan-2-yl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]-4H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]-4H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]-4H-pyrazole-3-carboxamide is CNC1CCN(c2ccc(NC(=O)C3=NN=C(c4ccco4)C3)cc2)C1.
What is the InChIKey of 5-(furan-2-yl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]-4H-pyrazole-3-carboxamide?
The InChIKey is OQTGKYVWBBIYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-20-14-8-9-24(12-14)15-6-4-13(5-7-15)21-19(25)17-11-16(22-23-17)18-3-2-10-26-18/h2-7,10,14,20H,8-9,11-12H2,1H3,(H,21,25).
What are the key properties of 5-(furan-2-yl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]-4H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]-4H-pyrazole-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.27, 5 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-[4-[3-(methylamino)pyrrolidin-1-yl]phenyl]-4H-pyrazole-3-carboxamide is sourced from PubChem (CID 58867743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).