[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C18H25N5O2 — CID 118740236

IUPAC[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCCN(Cc1ccncc1)CC1(O)CCN(C(=O)c2cnn(C)c2)C1
InChIInChI=1S/C18H25N5O2/c1-3-22(11-15-4-7-19-8-5-15)13-18(25)6-9-23(14-18)17(24)16-10-20-21(2)12-16/h4-5,7-8,10,12,25H,3,6,9,11,13-14H2,1-2H3
InChIKeyCVIWPHAOKHWHPZ-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.91
Rot. Bonds6

About [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 118740236) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID118740236
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCCN(Cc1ccncc1)CC1(O)CCN(C(=O)c2cnn(C)c2)C1
InChIInChI=1S/C18H25N5O2/c1-3-22(11-15-4-7-19-8-5-15)13-18(25)6-9-23(14-18)17(24)16-10-20-21(2)12-16/h4-5,7-8,10,12,25H,3,6,9,11,13-14H2,1-2H3
InChIKeyCVIWPHAOKHWHPZ-UHFFFAOYSA-N
XLogP0.91
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone with MolForge

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Related Compounds

[1-(2-Fluorophenyl)pyrazol-4-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 53618523
1-[2-[(4-Methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 53624783
(1-Tert-butylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 56814683
(1-Tert-butylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 56814697
1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 70746820
2-[1-(3-Fluoropyridine-4-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75393451
(1-Methylpyrazol-4-yl)-[4-(2-methyl-4-pyridinyl)piperidin-1-yl]methanone
CID 95826898
[1-[(1-Methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 97397001
[(3aS,6aR)-1-(pyridin-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 97459104
[(3aS,6aR)-1-(pyridin-4-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 97459105
7-[(1-Methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97466869
(5R,9R)-9-methyl-7-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97471750

Frequently Asked Questions

What is the IUPAC name of [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 118740236) is [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is CCN(Cc1ccncc1)CC1(O)CCN(C(=O)c2cnn(C)c2)C1.
What is the InChIKey of [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is CVIWPHAOKHWHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-22(11-15-4-7-19-8-5-15)13-18(25)6-9-23(14-18)17(24)16-10-20-21(2)12-16/h4-5,7-8,10,12,25H,3,6,9,11,13-14H2,1-2H3.
What are the key properties of [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 118740236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).