N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide

C20H20FN5O2 — CID 75524666

IUPACN-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccc(F)cc1)N1CCC(Oc2cccnc2)C1
InChIInChI=1S/C20H20FN5O2/c21-16-5-3-15(4-6-16)13-26-19(7-10-23-26)24-20(27)25-11-8-18(14-25)28-17-2-1-9-22-12-17/h1-7,9-10,12,18H,8,11,13-14H2,(H,24,27)
InChIKeyZLOZNTLIOKLIFW-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.15
Rot. Bonds5

About N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide

N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide (PubChem CID 75524666) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
PubChem CID75524666
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC NameN-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccc(F)cc1)N1CCC(Oc2cccnc2)C1
InChIInChI=1S/C20H20FN5O2/c21-16-5-3-15(4-6-16)13-26-19(7-10-23-26)24-20(27)25-11-8-18(14-25)28-17-2-1-9-22-12-17/h1-7,9-10,12,18H,8,11,13-14H2,(H,24,27)
InChIKeyZLOZNTLIOKLIFW-UHFFFAOYSA-N
XLogP3.15
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 136534543
(3S)-N-pyridin-2-yl-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97084803
1-[[2-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122090658
2-oxo-2-(3-pyridin-3-yloxypyrrolidin-1-yl)acetamide
CID 175996540
(3R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97064402
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
(3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97078503
N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 119043695
(3S)-3-pyridin-3-yloxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 97012552
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
(3S)-N-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97078501
1-[[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122090400

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide (CID 75524666) is N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide is O=C(Nc1ccnn1Cc1ccc(F)cc1)N1CCC(Oc2cccnc2)C1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The InChIKey is ZLOZNTLIOKLIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c21-16-5-3-15(4-6-16)13-26-19(7-10-23-26)24-20(27)25-11-8-18(14-25)28-17-2-1-9-22-12-17/h1-7,9-10,12,18H,8,11,13-14H2,(H,24,27).
What are the key properties of N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide is sourced from PubChem (CID 75524666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).