3-(1,3-dimethylpyrazol-4-yl)-N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]propanamide

C18H25N5O2 — CID 124943074

IUPAC3-(1,3-dimethylpyrazol-4-yl)-N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]propanamide
SMILESCc1nn(C)cc1CCC(=O)NC[C@@]1(O)CCN(c2ccccn2)C1
InChIInChI=1S/C18H25N5O2/c1-14-15(11-22(2)21-14)6-7-17(24)20-12-18(25)8-10-23(13-18)16-5-3-4-9-19-16/h3-5,9,11,25H,6-8,10,12-13H2,1-2H3,(H,20,24)/t18-/m0/s1
InChIKeyAZZRARGOBVAEST-SFHVURJKSA-N
MW343.43 g/mol
LogP0.81
Rot. Bonds6

About 3-(1,3-dimethylpyrazol-4-yl)-N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]propanamide

3-(1,3-dimethylpyrazol-4-yl)-N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]propanamide (PubChem CID 124943074) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]propanamide
PubChem CID124943074
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]propanamide
SMILESCc1nn(C)cc1CCC(=O)NC[C@@]1(O)CCN(c2ccccn2)C1
InChIInChI=1S/C18H25N5O2/c1-14-15(11-22(2)21-14)6-7-17(24)20-12-18(25)8-10-23(13-18)16-5-3-4-9-19-16/h3-5,9,11,25H,6-8,10,12-13H2,1-2H3,(H,20,24)/t18-/m0/s1
InChIKeyAZZRARGOBVAEST-SFHVURJKSA-N
XLogP0.81
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110124213
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 124978863
3-(1,3-dimethylpyrazol-4-yl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111378224
2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 125023156
2-(3,5-dimethylpyrazol-1-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110124192
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 110124261
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-thiophen-2-ylpropanamide
CID 124940666
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 124968569
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
CID 110123804
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide
CID 110124102
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 110124043
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 110123987

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]propanamide?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]propanamide (CID 124943074) is 3-(1,3-dimethylpyrazol-4-yl)-N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]propanamide?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]propanamide is Cc1nn(C)cc1CCC(=O)NC[C@@]1(O)CCN(c2ccccn2)C1.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]propanamide?
The InChIKey is AZZRARGOBVAEST-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14-15(11-22(2)21-14)6-7-17(24)20-12-18(25)8-10-23(13-18)16-5-3-4-9-19-16/h3-5,9,11,25H,6-8,10,12-13H2,1-2H3,(H,20,24)/t18-/m0/s1.
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]propanamide?
3-(1,3-dimethylpyrazol-4-yl)-N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]propanamide has a molecular weight of 343.43 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 124943074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).