4-[(3-hydroxypyrrolidin-1-yl)methyl]-N-[(3-methoxy-4-pyridinyl)methyl]-1-methylpyrazole-3-carboxamide

C17H23N5O3 — CID 167826911

IUPAC4-[(3-hydroxypyrrolidin-1-yl)methyl]-N-[(3-methoxy-4-pyridinyl)methyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1cnccc1CNC(=O)c1nn(C)cc1CN1CCC(O)C1
InChIInChI=1S/C17H23N5O3/c1-21-9-13(10-22-6-4-14(23)11-22)16(20-21)17(24)19-7-12-3-5-18-8-15(12)25-2/h3,5,8-9,14,23H,4,6-7,10-11H2,1-2H3,(H,19,24)
InChIKeyIZKBLDZEPLYTIZ-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.32
Rot. Bonds6

About 4-[(3-hydroxypyrrolidin-1-yl)methyl]-N-[(3-methoxy-4-pyridinyl)methyl]-1-methylpyrazole-3-carboxamide

4-[(3-hydroxypyrrolidin-1-yl)methyl]-N-[(3-methoxy-4-pyridinyl)methyl]-1-methylpyrazole-3-carboxamide (PubChem CID 167826911) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[(3-hydroxypyrrolidin-1-yl)methyl]-N-[(3-methoxy-4-pyridinyl)methyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3-hydroxypyrrolidin-1-yl)methyl]-N-[(3-methoxy-4-pyridinyl)methyl]-1-methylpyrazole-3-carboxamide
PubChem CID167826911
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name4-[(3-hydroxypyrrolidin-1-yl)methyl]-N-[(3-methoxy-4-pyridinyl)methyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1cnccc1CNC(=O)c1nn(C)cc1CN1CCC(O)C1
InChIInChI=1S/C17H23N5O3/c1-21-9-13(10-22-6-4-14(23)11-22)16(20-21)17(24)19-7-12-3-5-18-8-15(12)25-2/h3,5,8-9,14,23H,4,6-7,10-11H2,1-2H3,(H,19,24)
InChIKeyIZKBLDZEPLYTIZ-UHFFFAOYSA-N
XLogP0.32
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-4-[(3-hydroxypyrrolidin-1-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 167901933
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 78963608
N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92636739
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 111661814
(3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol
CID 79031489
4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-3-carboxamide
CID 154788525
2-ethyl-N-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 91660317
(3R)-1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 31106088
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 111520282
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111333934
1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62917327

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxypyrrolidin-1-yl)methyl]-N-[(3-methoxy-4-pyridinyl)methyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-[(3-hydroxypyrrolidin-1-yl)methyl]-N-[(3-methoxy-4-pyridinyl)methyl]-1-methylpyrazole-3-carboxamide (CID 167826911) is 4-[(3-hydroxypyrrolidin-1-yl)methyl]-N-[(3-methoxy-4-pyridinyl)methyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[(3-hydroxypyrrolidin-1-yl)methyl]-N-[(3-methoxy-4-pyridinyl)methyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-[(3-hydroxypyrrolidin-1-yl)methyl]-N-[(3-methoxy-4-pyridinyl)methyl]-1-methylpyrazole-3-carboxamide is COc1cnccc1CNC(=O)c1nn(C)cc1CN1CCC(O)C1.
What is the InChIKey of 4-[(3-hydroxypyrrolidin-1-yl)methyl]-N-[(3-methoxy-4-pyridinyl)methyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is IZKBLDZEPLYTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-21-9-13(10-22-6-4-14(23)11-22)16(20-21)17(24)19-7-12-3-5-18-8-15(12)25-2/h3,5,8-9,14,23H,4,6-7,10-11H2,1-2H3,(H,19,24).
What are the key properties of 4-[(3-hydroxypyrrolidin-1-yl)methyl]-N-[(3-methoxy-4-pyridinyl)methyl]-1-methylpyrazole-3-carboxamide?
4-[(3-hydroxypyrrolidin-1-yl)methyl]-N-[(3-methoxy-4-pyridinyl)methyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxypyrrolidin-1-yl)methyl]-N-[(3-methoxy-4-pyridinyl)methyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 167826911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).