N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzamide

C23H17F6N5O3 — CID 136606457

IUPACN-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C23H17F6N5O3/c1-2-4-15-10-19(35)32-21(30-15)34-18(11-16(33-34)17-5-3-6-37-17)31-20(36)12-7-13(22(24,25)26)9-14(8-12)23(27,28)29/h3,5-11H,2,4H2,1H3,(H,31,36)(H,30,32,35)
InChIKeyXVTYFKCKMVSBHN-UHFFFAOYSA-N
MW525.41 g/mol
LogP5.46
Rot. Bonds6

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

N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 136606457) has the molecular formula C23H17F6N5O3 and a molecular weight of 525.41 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID136606457
Molecular FormulaC23H17F6N5O3
Molecular Weight525.41 g/mol
Exact Mass525.12
IUPAC NameN-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C23H17F6N5O3/c1-2-4-15-10-19(35)32-21(30-15)34-18(11-16(33-34)17-5-3-6-37-17)31-20(36)12-7-13(22(24,25)26)9-14(8-12)23(27,28)29/h3,5-11H,2,4H2,1H3,(H,31,36)(H,30,32,35)
InChIKeyXVTYFKCKMVSBHN-UHFFFAOYSA-N
XLogP5.46
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.41
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzamide
CID 136606181
N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide
CID 136606306
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
N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide
CID 136606179
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]propanamide
CID 136606405
N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methylsulfanylbenzamide
CID 136606518
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

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]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzamide (CID 136606457) is N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzamide is CCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1.
What is the InChIKey of N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is XVTYFKCKMVSBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6N5O3/c1-2-4-15-10-19(35)32-21(30-15)34-18(11-16(33-34)17-5-3-6-37-17)31-20(36)12-7-13(22(24,25)26)9-14(8-12)23(27,28)29/h3,5-11H,2,4H2,1H3,(H,31,36)(H,30,32,35).
What are the key properties of N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzamide?
N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 525.41 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 136606457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).