N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylsulfanylbenzamide

C22H21N5O3S — CID 136606518

IUPACN-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylsulfanylbenzamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2ccccc2SC)n1
InChIInChI=1S/C22H21N5O3S/c1-3-7-14-12-20(28)25-22(23-14)27-19(13-16(26-27)17-9-6-11-30-17)24-21(29)15-8-4-5-10-18(15)31-2/h4-6,8-13H,3,7H2,1-2H3,(H,24,29)(H,23,25,28)
InChIKeyFBEKQIXJCMSNSV-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.14
Rot. Bonds7

About N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylsulfanylbenzamide

N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylsulfanylbenzamide (PubChem CID 136606518) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylsulfanylbenzamide
PubChem CID136606518
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC NameN-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylsulfanylbenzamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2ccccc2SC)n1
InChIInChI=1S/C22H21N5O3S/c1-3-7-14-12-20(28)25-22(23-14)27-19(13-16(26-27)17-9-6-11-30-17)24-21(29)15-8-4-5-10-18(15)31-2/h4-6,8-13H,3,7H2,1-2H3,(H,24,29)(H,23,25,28)
InChIKeyFBEKQIXJCMSNSV-UHFFFAOYSA-N
XLogP4.14
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylsulfanylbenzamide with MolForge

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Related Compounds

N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]naphthalene-1-carboxamide
CID 136606309
N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxyacetamide
CID 136606402
3-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide
CID 136606433
3-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,2-dimethylpropanamide
CID 136606408
3-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide
CID 136606405
N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzamide
CID 136606457
N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclopentanecarboxamide
CID 135879870
4-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide
CID 136606406
N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclohexanecarboxamide
CID 136606395
N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-4-phenylbenzamide
CID 136606312
2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]propanamide
CID 136606257
2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-6-fluorobenzamide
CID 136606294

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylsulfanylbenzamide (CID 136606518) is N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylsulfanylbenzamide is CCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2ccccc2SC)n1.
What is the InChIKey of N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylsulfanylbenzamide?
The InChIKey is FBEKQIXJCMSNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-3-7-14-12-20(28)25-22(23-14)27-19(13-16(26-27)17-9-6-11-30-17)24-21(29)15-8-4-5-10-18(15)31-2/h4-6,8-13H,3,7H2,1-2H3,(H,24,29)(H,23,25,28).
What are the key properties of N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylsulfanylbenzamide?
N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylsulfanylbenzamide has a molecular weight of 435.51 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 136606518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).