1-[(3R)-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone

C18H25N5O2 — CID 124949348

IUPAC1-[(3R)-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCCN(Cc1ccncc1)C[C@]1(O)CCN(C(=O)Cn2cccn2)C1
InChIInChI=1S/C18H25N5O2/c1-2-21(12-16-4-8-19-9-5-16)14-18(25)6-11-22(15-18)17(24)13-23-10-3-7-20-23/h3-5,7-10,25H,2,6,11-15H2,1H3/t18-/m1/s1
InChIKeyCTMJKNCGXZDROG-GOSISDBHSA-N
MW343.43 g/mol
LogP0.76
Rot. Bonds7

About 1-[(3R)-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone

1-[(3R)-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 124949348) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(3R)-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[(3R)-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID124949348
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[(3R)-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCCN(Cc1ccncc1)C[C@]1(O)CCN(C(=O)Cn2cccn2)C1
InChIInChI=1S/C18H25N5O2/c1-2-21(12-16-4-8-19-9-5-16)14-18(25)6-11-22(15-18)17(24)13-23-10-3-7-20-23/h3-5,7-10,25H,2,6,11-15H2,1H3/t18-/m1/s1
InChIKeyCTMJKNCGXZDROG-GOSISDBHSA-N
XLogP0.76
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 124641160
[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 110098082
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone
CID 103726876
3-amino-1-(2-pyrazol-1-ylacetyl)pyrrolidine-3-carboxylic acid
CID 107323394
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone
CID 80707191
[(4R)-4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyazepan-1-yl]-(1H-indazol-3-yl)methanone
CID 124999055
4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol
CID 62222040
(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyazepan-1-yl]methanone
CID 110123212
4-ethyl-1-(2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid
CID 63125421
3-methyl-1-(2-pyrazol-1-ylacetyl)piperidine-3-carboxylic acid
CID 55165297
[3-[[(4-fluorophenyl)methyl-methylamino]methyl]-3-hydroxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 118740283
1-[2-[ethyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-one
CID 60684459

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[(3R)-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone (CID 124949348) is 1-[(3R)-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[(3R)-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[(3R)-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone is CCN(Cc1ccncc1)C[C@]1(O)CCN(C(=O)Cn2cccn2)C1.
What is the InChIKey of 1-[(3R)-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is CTMJKNCGXZDROG-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-2-21(12-16-4-8-19-9-5-16)14-18(25)6-11-22(15-18)17(24)13-23-10-3-7-20-23/h3-5,7-10,25H,2,6,11-15H2,1H3/t18-/m1/s1.
What are the key properties of 1-[(3R)-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
1-[(3R)-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 343.43 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 124949348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).