2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

C19H25N5O3S — CID 86895509

IUPAC2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCOC(Cn2cccn2)C1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H25N5O3S/c25-18(15-21-10-11-27-16(13-21)14-24-5-2-4-20-24)22-6-8-23(9-7-22)19(26)17-3-1-12-28-17/h1-5,12,16H,6-11,13-15H2
InChIKeyRGKXMOPUNJFTRY-UHFFFAOYSA-N
MW403.51 g/mol
LogP0.63
Rot. Bonds5

About 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 86895509) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID86895509
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Name2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCOC(Cn2cccn2)C1)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H25N5O3S/c25-18(15-21-10-11-27-16(13-21)14-24-5-2-4-20-24)22-6-8-23(9-7-22)19(26)17-3-1-12-28-17/h1-5,12,16H,6-11,13-15H2
InChIKeyRGKXMOPUNJFTRY-UHFFFAOYSA-N
XLogP0.63
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 86895521
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone
CID 95283759
2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-N-(2-thiophen-3-ylethyl)acetamide
CID 95279241
(2S)-2-(pyrazol-1-ylmethyl)-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine
CID 95277466
2-methyl-3-pyrazol-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 131950339
N-(2-acetamidoethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 95321575
2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421346
2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 86895517
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8544458
(2S)-4-[2-[(R)-phenylsulfinyl]ethyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95295560
3-[[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzamide
CID 95299116
2-[4-(piperidine-1-carbonyl)piperidin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 86906764

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 86895509) is 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is O=C(CN1CCOC(Cn2cccn2)C1)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is RGKXMOPUNJFTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c25-18(15-21-10-11-27-16(13-21)14-24-5-2-4-20-24)22-6-8-23(9-7-22)19(26)17-3-1-12-28-17/h1-5,12,16H,6-11,13-15H2.
What are the key properties of 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 403.51 g/mol, XLogP of 0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 86895509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).