N-[(3R,4R)-1-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxypyrrolidin-3-yl]-1H-pyrazole-5-carboxamide

C14H16FN5O2 — CID 110133226

IUPACN-[(3R,4R)-1-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxypyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@@H]1CN(Cc2ccc(F)cn2)C[C@H]1O)c1ccn[nH]1
InChIInChI=1S/C14H16FN5O2/c15-9-1-2-10(16-5-9)6-20-7-12(13(21)8-20)18-14(22)11-3-4-17-19-11/h1-5,12-13,21H,6-8H2,(H,17,19)(H,18,22)/t12-,13-/m1/s1
InChIKeyNYQGGTNGBNSDOX-CHWSQXEVSA-N
MW305.31 g/mol
LogP-0.08
Rot. Bonds4

About N-[(3R,4R)-1-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxypyrrolidin-3-yl]-1H-pyrazole-5-carboxamide

N-[(3R,4R)-1-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxypyrrolidin-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 110133226) has the molecular formula C14H16FN5O2 and a molecular weight of 305.31 g/mol. Its IUPAC name is N-[(3R,4R)-1-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxypyrrolidin-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxypyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID110133226
Molecular FormulaC14H16FN5O2
Molecular Weight305.31 g/mol
Exact Mass305.13
IUPAC NameN-[(3R,4R)-1-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxypyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@@H]1CN(Cc2ccc(F)cn2)C[C@H]1O)c1ccn[nH]1
InChIInChI=1S/C14H16FN5O2/c15-9-1-2-10(16-5-9)6-20-7-12(13(21)8-20)18-14(22)11-3-4-17-19-11/h1-5,12-13,21H,6-8H2,(H,17,19)(H,18,22)/t12-,13-/m1/s1
InChIKeyNYQGGTNGBNSDOX-CHWSQXEVSA-N
XLogP-0.08
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4R)-1-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxypyrrolidin-3-yl]-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

N-[(3R,4R)-4-hydroxy-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 110133232
2-[(3-ethylazetidin-1-yl)methyl]-5-fluoropyridine
CID 177348339
N-(azetidin-3-yl)-1H-pyrazole-5-carboxamide
CID 66187687
N-[(3R,4R)-4-hydroxy-1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133335
[(3S,4S)-1-[(5-fluoro-2-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]methanol
CID 126785786
3-[(3R,4R)-1-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxypyrrolidin-3-yl]oxybenzoic acid
CID 110146723
N-[(1S,2S)-2-methylcyclopentyl]-1H-pyrazole-5-carboxamide
CID 59304482
[(2R)-1,4-bis[(5-fluoro-2-pyridinyl)methyl]piperazin-2-yl]methanol
CID 164637421
N-[(3R)-piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 104645486
1-[(5-fluoro-2-pyridinyl)methyl]-1,4-diazepan-5-one
CID 126774479
2-[(3R,4R)-3-hydroxy-4-(1H-imidazole-5-carbonylamino)pyrrolidin-1-yl]acetic acid
CID 110133279
N-[(3R,4R)-4-hydroxy-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 110133362

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxypyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3R,4R)-1-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxypyrrolidin-3-yl]-1H-pyrazole-5-carboxamide (CID 110133226) is N-[(3R,4R)-1-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxypyrrolidin-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxypyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxypyrrolidin-3-yl]-1H-pyrazole-5-carboxamide is O=C(N[C@@H]1CN(Cc2ccc(F)cn2)C[C@H]1O)c1ccn[nH]1.
What is the InChIKey of N-[(3R,4R)-1-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxypyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is NYQGGTNGBNSDOX-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H16FN5O2/c15-9-1-2-10(16-5-9)6-20-7-12(13(21)8-20)18-14(22)11-3-4-17-19-11/h1-5,12-13,21H,6-8H2,(H,17,19)(H,18,22)/t12-,13-/m1/s1.
What are the key properties of N-[(3R,4R)-1-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxypyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
N-[(3R,4R)-1-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxypyrrolidin-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 305.31 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxypyrrolidin-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 110133226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).