N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-thiophen-3-ylmorpholine-4-carboxamide

C18H24N4O2S — CID 126788834

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-thiophen-3-ylmorpholine-4-carboxamide
SMILESO=C(NCc1ccn(C2CCCC2)n1)N1CCOC(c2ccsc2)C1
InChIInChI=1S/C18H24N4O2S/c23-18(21-8-9-24-17(12-21)14-6-10-25-13-14)19-11-15-5-7-22(20-15)16-3-1-2-4-16/h5-7,10,13,16-17H,1-4,8-9,11-12H2,(H,19,23)
InChIKeyOZOFQOMFDSHNKD-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.34
Rot. Bonds4

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-thiophen-3-ylmorpholine-4-carboxamide

N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-thiophen-3-ylmorpholine-4-carboxamide (PubChem CID 126788834) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-thiophen-3-ylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-thiophen-3-ylmorpholine-4-carboxamide
PubChem CID126788834
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-2-thiophen-3-ylmorpholine-4-carboxamide
SMILESO=C(NCc1ccn(C2CCCC2)n1)N1CCOC(c2ccsc2)C1
InChIInChI=1S/C18H24N4O2S/c23-18(21-8-9-24-17(12-21)14-6-10-25-13-14)19-11-15-5-7-22(20-15)16-3-1-2-4-16/h5-7,10,13,16-17H,1-4,8-9,11-12H2,(H,19,23)
InChIKeyOZOFQOMFDSHNKD-UHFFFAOYSA-N
XLogP3.34
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylsulfanylazepane-1-carboxamide
CID 124573040
(2R)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-thiophen-3-ylmorpholine-4-carboxamide
CID 99618971
piperidin-2-yl-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride
CID 119339142
(2R)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide
CID 129402913
(2S)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide
CID 129402914
2-thiophen-3-yl-N-(1-thiophen-2-ylpropyl)morpholine-4-carboxamide
CID 75379628
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705188
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-thiophen-3-ylethanamine
CID 64801637
2-[ethyl-[3-[(2-thiophen-3-ylmorpholine-4-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122026211
4-amino-1-(2-thiophen-3-ylmorpholin-4-yl)pentan-1-one;hydrochloride
CID 120563675
(2R)-2-(3,4-difluorophenyl)-N-(1,3-thiazol-4-ylmethyl)morpholine-4-carboxamide
CID 95179186
(2R)-N-(1-methylindol-7-yl)-2-thiophen-3-ylmorpholine-4-carboxamide
CID 124621987

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-thiophen-3-ylmorpholine-4-carboxamide?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-thiophen-3-ylmorpholine-4-carboxamide (CID 126788834) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-thiophen-3-ylmorpholine-4-carboxamide.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-thiophen-3-ylmorpholine-4-carboxamide?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-thiophen-3-ylmorpholine-4-carboxamide is O=C(NCc1ccn(C2CCCC2)n1)N1CCOC(c2ccsc2)C1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-thiophen-3-ylmorpholine-4-carboxamide?
The InChIKey is OZOFQOMFDSHNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c23-18(21-8-9-24-17(12-21)14-6-10-25-13-14)19-11-15-5-7-22(20-15)16-3-1-2-4-16/h5-7,10,13,16-17H,1-4,8-9,11-12H2,(H,19,23).
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-thiophen-3-ylmorpholine-4-carboxamide?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-thiophen-3-ylmorpholine-4-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-thiophen-3-ylmorpholine-4-carboxamide is sourced from PubChem (CID 126788834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).