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

C18H20ClN5O3 — CID 136606406

IUPAC4-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)CCCCl)n1
InChIInChI=1S/C18H20ClN5O3/c1-2-5-12-10-17(26)22-18(20-12)24-15(21-16(25)7-3-8-19)11-13(23-24)14-6-4-9-27-14/h4,6,9-11H,2-3,5,7-8H2,1H3,(H,21,25)(H,20,22,26)
InChIKeyUPROFLLNWJYBTJ-UHFFFAOYSA-N
MW389.84 g/mol
LogP3.13
Rot. Bonds8

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

4-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide (PubChem CID 136606406) has the molecular formula C18H20ClN5O3 and a molecular weight of 389.84 g/mol. Its IUPAC name is 4-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide.

Molecular Properties

Compound Name4-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide
PubChem CID136606406
Molecular FormulaC18H20ClN5O3
Molecular Weight389.84 g/mol
Exact Mass389.13
IUPAC Name4-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)CCCCl)n1
InChIInChI=1S/C18H20ClN5O3/c1-2-5-12-10-17(26)22-18(20-12)24-15(21-16(25)7-3-8-19)11-13(23-24)14-6-4-9-27-14/h4,6,9-11H,2-3,5,7-8H2,1H3,(H,21,25)(H,20,22,26)
InChIKeyUPROFLLNWJYBTJ-UHFFFAOYSA-N
XLogP3.13
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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-methoxyacetamide
CID 136606402
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-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclopentanecarboxamide
CID 135879870
3-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]benzamide
CID 136606433
N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]cyclohexanecarboxamide
CID 136606395
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]-3,5-bis(trifluoromethyl)benzamide
CID 136606457
2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]propanamide
CID 136606257
4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]butanamide
CID 135753051
N-[3-(furan-2-yl)-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide
CID 136615190
N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)propanamide
CID 136614908

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide?
The IUPAC name of 4-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide (CID 136606406) is 4-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide.
What is the SMILES notation for 4-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide?
The canonical SMILES for 4-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide is CCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)CCCCl)n1.
What is the InChIKey of 4-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide?
The InChIKey is UPROFLLNWJYBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O3/c1-2-5-12-10-17(26)22-18(20-12)24-15(21-16(25)7-3-8-19)11-13(23-24)14-6-4-9-27-14/h4,6,9-11H,2-3,5,7-8H2,1H3,(H,21,25)(H,20,22,26).
What are the key properties of 4-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide?
4-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide has a molecular weight of 389.84 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide is sourced from PubChem (CID 136606406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).