N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methoxybenzamide

C21H21FN4O2 — CID 91888076

IUPACN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1
InChIInChI=1S/C21H21FN4O2/c1-28-19-5-3-2-4-17(19)21(27)23-16-10-11-26(13-16)20-12-18(24-25-20)14-6-8-15(22)9-7-14/h2-9,12,16H,10-11,13H2,1H3,(H,23,27)(H,24,25)
InChIKeyHKJACMBIPGZIBP-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.23
Rot. Bonds5

About N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methoxybenzamide

N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methoxybenzamide (PubChem CID 91888076) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methoxybenzamide
PubChem CID91888076
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1
InChIInChI=1S/C21H21FN4O2/c1-28-19-5-3-2-4-17(19)21(27)23-16-10-11-26(13-16)20-12-18(24-25-20)14-6-8-15(22)9-7-14/h2-9,12,16H,10-11,13H2,1H3,(H,23,27)(H,24,25)
InChIKeyHKJACMBIPGZIBP-UHFFFAOYSA-N
XLogP3.23
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methoxybenzamide (CID 91888076) is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)NC1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methoxybenzamide?
The InChIKey is HKJACMBIPGZIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-28-19-5-3-2-4-17(19)21(27)23-16-10-11-26(13-16)20-12-18(24-25-20)14-6-8-15(22)9-7-14/h2-9,12,16H,10-11,13H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methoxybenzamide?
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methoxybenzamide has a molecular weight of 380.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 91888076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).