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

C16H16ClN5O3 — CID 136606257

IUPAC2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]propanamide
SMILESCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)C(C)Cl)n1
InChIInChI=1S/C16H16ClN5O3/c1-3-10-7-14(23)20-16(18-10)22-13(19-15(24)9(2)17)8-11(21-22)12-5-4-6-25-12/h4-9H,3H2,1-2H3,(H,19,24)(H,18,20,23)
InChIKeyLTKIMXBADSLZJL-UHFFFAOYSA-N
MW361.79 g/mol
LogP2.34
Rot. Bonds5

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

2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]propanamide (PubChem CID 136606257) has the molecular formula C16H16ClN5O3 and a molecular weight of 361.79 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]propanamide
PubChem CID136606257
Molecular FormulaC16H16ClN5O3
Molecular Weight361.79 g/mol
Exact Mass361.09
IUPAC Name2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]propanamide
SMILESCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)C(C)Cl)n1
InChIInChI=1S/C16H16ClN5O3/c1-3-10-7-14(23)20-16(18-10)22-13(19-15(24)9(2)17)8-11(21-22)12-5-4-6-25-12/h4-9H,3H2,1-2H3,(H,19,24)(H,18,20,23)
InChIKeyLTKIMXBADSLZJL-UHFFFAOYSA-N
XLogP2.34
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 52.34
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

N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]naphthalene-1-carboxamide
CID 136606309
N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-4-phenylbenzamide
CID 136606312
2-ethyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]butanamide
CID 136614804
2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-6-fluorobenzamide
CID 136606294
N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3,4-dimethoxybenzamide
CID 136606274
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-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]-3-(trifluoromethyl)benzamide
CID 136606306
N-[3-(furan-2-yl)-1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxyacetamide
CID 136606402
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]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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]propanamide?
The IUPAC name of 2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]propanamide (CID 136606257) is 2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]propanamide.
What is the SMILES notation for 2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]propanamide?
The canonical SMILES for 2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]propanamide is CCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)C(C)Cl)n1.
What is the InChIKey of 2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]propanamide?
The InChIKey is LTKIMXBADSLZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O3/c1-3-10-7-14(23)20-16(18-10)22-13(19-15(24)9(2)17)8-11(21-22)12-5-4-6-25-12/h4-9H,3H2,1-2H3,(H,19,24)(H,18,20,23).
What are the key properties of 2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]propanamide?
2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]propanamide has a molecular weight of 361.79 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(furan-2-yl)pyrazol-5-yl]propanamide is sourced from PubChem (CID 136606257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).