5-(2-fluorophenyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-1H-pyrazole-4-carboxamide

C20H25FN4O2 — CID 127445285

IUPAC5-(2-fluorophenyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1(N2CCCC2)CCOCC1)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C20H25FN4O2/c21-17-6-2-1-5-15(17)18-16(13-23-24-18)19(26)22-14-20(7-11-27-12-8-20)25-9-3-4-10-25/h1-2,5-6,13H,3-4,7-12,14H2,(H,22,26)(H,23,24)
InChIKeyZHTYHKNKFJVBTP-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.59
Rot. Bonds5

About 5-(2-fluorophenyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-1H-pyrazole-4-carboxamide

5-(2-fluorophenyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 127445285) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID127445285
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name5-(2-fluorophenyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1(N2CCCC2)CCOCC1)c1cn[nH]c1-c1ccccc1F
InChIInChI=1S/C20H25FN4O2/c21-17-6-2-1-5-15(17)18-16(13-23-24-18)19(26)22-14-20(7-11-27-12-8-20)25-9-3-4-10-25/h1-2,5-6,13H,3-4,7-12,14H2,(H,22,26)(H,23,24)
InChIKeyZHTYHKNKFJVBTP-UHFFFAOYSA-N
XLogP2.59
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-1H-pyrazole-4-carboxamide (CID 127445285) is 5-(2-fluorophenyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-1H-pyrazole-4-carboxamide is O=C(NCC1(N2CCCC2)CCOCC1)c1cn[nH]c1-c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is ZHTYHKNKFJVBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c21-17-6-2-1-5-15(17)18-16(13-23-24-18)19(26)22-14-20(7-11-27-12-8-20)25-9-3-4-10-25/h1-2,5-6,13H,3-4,7-12,14H2,(H,22,26)(H,23,24).
What are the key properties of 5-(2-fluorophenyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-1H-pyrazole-4-carboxamide?
5-(2-fluorophenyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 127445285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).