(2R,4S)-4-fluoro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide

C15H18FN5O — CID 154802243

IUPAC(2R,4S)-4-fluoro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccn(CCc2ccncc2)n1)[C@H]1C[C@H](F)CN1
InChIInChI=1S/C15H18FN5O/c16-12-9-13(18-10-12)15(22)19-14-4-8-21(20-14)7-3-11-1-5-17-6-2-11/h1-2,4-6,8,12-13,18H,3,7,9-10H2,(H,19,20,22)/t12-,13+/m0/s1
InChIKeyXONSOUBYTVLSMA-QWHCGFSZSA-N
MW303.34 g/mol
LogP1.16
Rot. Bonds5

About (2R,4S)-4-fluoro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide

(2R,4S)-4-fluoro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide (PubChem CID 154802243) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is (2R,4S)-4-fluoro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-4-fluoro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide
PubChem CID154802243
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC Name(2R,4S)-4-fluoro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccn(CCc2ccncc2)n1)[C@H]1C[C@H](F)CN1
InChIInChI=1S/C15H18FN5O/c16-12-9-13(18-10-12)15(22)19-14-4-8-21(20-14)7-3-11-1-5-17-6-2-11/h1-2,4-6,8,12-13,18H,3,7,9-10H2,(H,19,20,22)/t12-,13+/m0/s1
InChIKeyXONSOUBYTVLSMA-QWHCGFSZSA-N
XLogP1.16
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,4S)-4-fluoro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2R)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]piperidine-2-carboxamide;dihydrochloride
CID 119871304
N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]morpholine-3-carboxamide
CID 119871307
(1S,2R,4S)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98750681
3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119871312
N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]morpholine-2-carboxamide
CID 119871345
3-amino-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119871314
1-hydroxy-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 110924173
N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]-2-pyrrolidin-2-ylacetamide;2,2,2-trifluoroacetic acid
CID 154863475
N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119871296
2-(1-hydroxycyclohexyl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
CID 111332045
2-amino-2-(oxan-4-yl)-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
CID 120799514
2-hydroxy-2-phenyl-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]acetamide
CID 111432604

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-fluoro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-4-fluoro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide (CID 154802243) is (2R,4S)-4-fluoro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-4-fluoro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-4-fluoro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide is O=C(Nc1ccn(CCc2ccncc2)n1)[C@H]1C[C@H](F)CN1.
What is the InChIKey of (2R,4S)-4-fluoro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is XONSOUBYTVLSMA-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H18FN5O/c16-12-9-13(18-10-12)15(22)19-14-4-8-21(20-14)7-3-11-1-5-17-6-2-11/h1-2,4-6,8,12-13,18H,3,7,9-10H2,(H,19,20,22)/t12-,13+/m0/s1.
What are the key properties of (2R,4S)-4-fluoro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide?
(2R,4S)-4-fluoro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 303.34 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-fluoro-N-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 154802243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).