N-ethyl-5-methyl-1-(oxan-4-yl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide

C19H23N5O3S — CID 167873300

IUPACN-ethyl-5-methyl-1-(oxan-4-yl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cnn(C2CCOCC2)c1C
InChIInChI=1S/C19H23N5O3S/c1-3-23(11-16-21-15-6-9-28-17(15)18(25)22-16)19(26)14-10-20-24(12(14)2)13-4-7-27-8-5-13/h6,9-10,13H,3-5,7-8,11H2,1-2H3,(H,21,22,25)
InChIKeyNYLYKJQXBAPJFM-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.50
Rot. Bonds5

About N-ethyl-5-methyl-1-(oxan-4-yl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide

N-ethyl-5-methyl-1-(oxan-4-yl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 167873300) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-ethyl-5-methyl-1-(oxan-4-yl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-1-(oxan-4-yl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID167873300
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC NameN-ethyl-5-methyl-1-(oxan-4-yl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cnn(C2CCOCC2)c1C
InChIInChI=1S/C19H23N5O3S/c1-3-23(11-16-21-15-6-9-28-17(15)18(25)22-16)19(26)14-10-20-24(12(14)2)13-4-7-27-8-5-13/h6,9-10,13H,3-5,7-8,11H2,1-2H3,(H,21,22,25)
InChIKeyNYLYKJQXBAPJFM-UHFFFAOYSA-N
XLogP2.50
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 167928948
1-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)-1-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]urea
CID 135920669
N,3-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 137294343
2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136768010
N,2-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 137294354
2-chloro-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]furan-3-carboxamide
CID 136729376
2-(ethylaminomethyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135967980
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 137294363
1-methyl-1-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-3-[(1S,2R,4S,5S)-3-tricyclo[3.2.1.02,4]octanyl]urea
CID 137230501
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]methanesulfonamide
CID 135992532
2-[[[(2S)-oxolan-2-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136822029
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-N-propylacetamide
CID 135857813

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-1-(oxan-4-yl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-ethyl-5-methyl-1-(oxan-4-yl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide (CID 167873300) is N-ethyl-5-methyl-1-(oxan-4-yl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-5-methyl-1-(oxan-4-yl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-5-methyl-1-(oxan-4-yl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide is CCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cnn(C2CCOCC2)c1C.
What is the InChIKey of N-ethyl-5-methyl-1-(oxan-4-yl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is NYLYKJQXBAPJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-3-23(11-16-21-15-6-9-28-17(15)18(25)22-16)19(26)14-10-20-24(12(14)2)13-4-7-27-8-5-13/h6,9-10,13H,3-5,7-8,11H2,1-2H3,(H,21,22,25).
What are the key properties of N-ethyl-5-methyl-1-(oxan-4-yl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide?
N-ethyl-5-methyl-1-(oxan-4-yl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-1-(oxan-4-yl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 167873300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).