(1-ethylpyrazol-3-yl)-[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone

C16H20N4O2 — CID 110202784

IUPAC(1-ethylpyrazol-3-yl)-[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2C[C@@H](CO)[C@H](c3ccncc3)C2)n1
InChIInChI=1S/C16H20N4O2/c1-2-20-8-5-15(18-20)16(22)19-9-13(11-21)14(10-19)12-3-6-17-7-4-12/h3-8,13-14,21H,2,9-11H2,1H3/t13-,14-/m0/s1
InChIKeyLTLXOWHIXPZOFT-KBPBESRZSA-N
MW300.36 g/mol
LogP1.15
Rot. Bonds4

About (1-ethylpyrazol-3-yl)-[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone

(1-ethylpyrazol-3-yl)-[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone (PubChem CID 110202784) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone
PubChem CID110202784
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(1-ethylpyrazol-3-yl)-[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2C[C@@H](CO)[C@H](c3ccncc3)C2)n1
InChIInChI=1S/C16H20N4O2/c1-2-20-8-5-15(18-20)16(22)19-9-13(11-21)14(10-19)12-3-6-17-7-4-12/h3-8,13-14,21H,2,9-11H2,1H3/t13-,14-/m0/s1
InChIKeyLTLXOWHIXPZOFT-KBPBESRZSA-N
XLogP1.15
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone
CID 56725198
(3,4-dimethylphenyl)-[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 110202750
[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110202770
(3-chlorophenyl)-[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 110202749
1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-(2-methoxyethoxy)-4-pyridin-4-ylazetidin-2-one
CID 171142280
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
1-(1-ethylpyrazole-3-carbonyl)piperidine-3-carboxylic acid
CID 102549426
(1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
CID 163333524
[(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633373
imidazo[1,2-a]pyridin-2-yl-[(3S,4R)-3-(methoxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 110202696
[(3S,4R)-3-(hydroxymethyl)-4-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone
CID 120965611
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-(1-ethylpyrazol-3-yl)methanone
CID 95750159

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone (CID 110202784) is (1-ethylpyrazol-3-yl)-[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone is CCn1ccc(C(=O)N2C[C@@H](CO)[C@H](c3ccncc3)C2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone?
The InChIKey is LTLXOWHIXPZOFT-KBPBESRZSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-20-8-5-15(18-20)16(22)19-9-13(11-21)14(10-19)12-3-6-17-7-4-12/h3-8,13-14,21H,2,9-11H2,1H3/t13-,14-/m0/s1.
What are the key properties of (1-ethylpyrazol-3-yl)-[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone?
(1-ethylpyrazol-3-yl)-[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone has a molecular weight of 300.36 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 110202784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).