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

C20H21ClN4O2 — CID 167839511

IUPACN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCC(c1ccccc1Cl)N1CCCC1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C20H21ClN4O2/c21-15-7-2-1-6-14(15)18(25-9-3-4-10-25)13-22-20(26)17-12-16(23-24-17)19-8-5-11-27-19/h1-2,5-8,11-12,18H,3-4,9-10,13H2,(H,22,26)(H,23,24)
InChIKeyIHIJRZBDZLQECJ-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.89
Rot. Bonds6

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

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 167839511) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID167839511
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCC(c1ccccc1Cl)N1CCCC1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C20H21ClN4O2/c21-15-7-2-1-6-14(15)18(25-9-3-4-10-25)13-22-20(26)17-12-16(23-24-17)19-8-5-11-27-19/h1-2,5-8,11-12,18H,3-4,9-10,13H2,(H,22,26)(H,23,24)
InChIKeyIHIJRZBDZLQECJ-UHFFFAOYSA-N
XLogP3.89
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-2-yl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1H-pyrazole-3-carboxamide
CID 167763561
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 167942351
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43005804
N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]furan-2-carboxamide
CID 17013059
N-[(2S)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]furan-2-carboxamide
CID 35043208
5-(furan-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide
CID 42951527
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829216
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
CID 24638668
1-(2-aminoethyl)-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]triazole-4-carboxamide
CID 70786137
5-(furan-2-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 110302485
5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 25353049
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 34859739

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 167839511) is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is O=C(NCC(c1ccccc1Cl)N1CCCC1)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is IHIJRZBDZLQECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c21-15-7-2-1-6-14(15)18(25-9-3-4-10-25)13-22-20(26)17-12-16(23-24-17)19-8-5-11-27-19/h1-2,5-8,11-12,18H,3-4,9-10,13H2,(H,22,26)(H,23,24).
What are the key properties of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 384.87 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 167839511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).