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

C20H22N4O2 — CID 41037776

IUPACN-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H22N4O2/c25-20(17-13-16(22-23-17)15-7-2-1-3-8-15)21-14-18(19-9-6-12-26-19)24-10-4-5-11-24/h1-3,6-9,12-13,18H,4-5,10-11,14H2,(H,21,25)(H,22,23)/t18-/m1/s1
InChIKeyZTYBEDFXWRACFO-GOSISDBHSA-N
MW350.42 g/mol
LogP3.24
Rot. Bonds6

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

N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 41037776) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID41037776
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H22N4O2/c25-20(17-13-16(22-23-17)15-7-2-1-3-8-15)21-14-18(19-9-6-12-26-19)24-10-4-5-11-24/h1-3,6-9,12-13,18H,4-5,10-11,14H2,(H,21,25)(H,22,23)/t18-/m1/s1
InChIKeyZTYBEDFXWRACFO-GOSISDBHSA-N
XLogP3.24
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 167898904
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 167854067
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 4869738
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 34859739
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 34668497
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 26004114
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 18080011
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 41214495
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide;hydrochloride
CID 45369582

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 41037776) is N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide is O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is ZTYBEDFXWRACFO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-20(17-13-16(22-23-17)15-7-2-1-3-8-15)21-14-18(19-9-6-12-26-19)24-10-4-5-11-24/h1-3,6-9,12-13,18H,4-5,10-11,14H2,(H,21,25)(H,22,23)/t18-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 41037776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).