N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide

C16H20FN5O2 — CID 139000116

IUPACN-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)(O)C1CCCN1C(=O)Nc1ccn(-c2ncccc2F)n1
InChIInChI=1S/C16H20FN5O2/c1-16(2,24)12-6-4-9-21(12)15(23)19-13-7-10-22(20-13)14-11(17)5-3-8-18-14/h3,5,7-8,10,12,24H,4,6,9H2,1-2H3,(H,19,20,23)
InChIKeyGAGUVZYMIMOWCQ-UHFFFAOYSA-N
MW333.37 g/mol
LogP2.17
Rot. Bonds3

About N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide

N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 139000116) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
PubChem CID139000116
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC NameN-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
SMILESCC(C)(O)C1CCCN1C(=O)Nc1ccn(-c2ncccc2F)n1
InChIInChI=1S/C16H20FN5O2/c1-16(2,24)12-6-4-9-21(12)15(23)19-13-7-10-22(20-13)14-11(17)5-3-8-18-14/h3,5,7-8,10,12,24H,4,6,9H2,1-2H3,(H,19,20,23)
InChIKeyGAGUVZYMIMOWCQ-UHFFFAOYSA-N
XLogP2.17
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-1-[(3R,4S)-4-hydroxyoxolan-3-yl]urea
CID 139018396
N-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357585
(2R)-N-(2,5-dichlorophenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 97075950
(2-fluorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate
CID 175350833
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 75397395
1-[1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]ethyl]-3-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]urea
CID 167861465
(2R)-N-(4-ethoxy-3-methylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 97340327
N-[1-(3-chloro-2-pyridinyl)pyrazol-3-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110016655
(2R)-N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 97340363
1-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea
CID 138046592
2-benzo[e][1]benzofuran-2-yl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]acetamide
CID 166187508
(2R)-N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 97306061

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide (CID 139000116) is N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide is CC(C)(O)C1CCCN1C(=O)Nc1ccn(-c2ncccc2F)n1.
What is the InChIKey of N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is GAGUVZYMIMOWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O2/c1-16(2,24)12-6-4-9-21(12)15(23)19-13-7-10-22(20-13)14-11(17)5-3-8-18-14/h3,5,7-8,10,12,24H,4,6,9H2,1-2H3,(H,19,20,23).
What are the key properties of N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide?
N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 333.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 139000116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).