2-chloro-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide

C17H18ClN5O2S — CID 136605017

IUPAC2-chloro-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)C(C)Cl)n1
InChIInChI=1S/C17H18ClN5O2S/c1-3-5-11-8-15(24)21-17(19-11)23-14(20-16(25)10(2)18)9-12(22-23)13-6-4-7-26-13/h4,6-10H,3,5H2,1-2H3,(H,20,25)(H,19,21,24)
InChIKeyHPJQQAQHBNKBET-UHFFFAOYSA-N
MW391.88 g/mol
LogP3.20
Rot. Bonds6

About 2-chloro-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide

2-chloro-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide (PubChem CID 136605017) has the molecular formula C17H18ClN5O2S and a molecular weight of 391.88 g/mol. Its IUPAC name is 2-chloro-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide
PubChem CID136605017
Molecular FormulaC17H18ClN5O2S
Molecular Weight391.88 g/mol
Exact Mass391.09
IUPAC Name2-chloro-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide
SMILESCCCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)C(C)Cl)n1
InChIInChI=1S/C17H18ClN5O2S/c1-3-5-11-8-15(24)21-17(19-11)23-14(20-16(25)10(2)18)9-12(22-23)13-6-4-7-26-13/h4,6-10H,3,5H2,1-2H3,(H,20,25)(H,19,21,24)
InChIKeyHPJQQAQHBNKBET-UHFFFAOYSA-N
XLogP3.20
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 53.20
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-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-3,3-diphenylpropanamide
CID 136605106
ethyl 2-oxo-2-[[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]amino]acetate
CID 136605144
3-bromo-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136605047
3,4-dimethyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136605024
5-bromo-2-chloro-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136605055
N-[1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-propylpentanamide
CID 136605692
3-cyclohexyl-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide
CID 136605009
4-tert-butyl-N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 136604869
N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-3,3-diphenylpropanamide
CID 136604951
N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 136604928
N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]furan-2-carboxamide
CID 136604958
N-[1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 136604932

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide?
The IUPAC name of 2-chloro-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide (CID 136605017) is 2-chloro-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide.
What is the SMILES notation for 2-chloro-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide?
The canonical SMILES for 2-chloro-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide is CCCc1cc(=O)[nH]c(-n2nc(-c3cccs3)cc2NC(=O)C(C)Cl)n1.
What is the InChIKey of 2-chloro-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide?
The InChIKey is HPJQQAQHBNKBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2S/c1-3-5-11-8-15(24)21-17(19-11)23-14(20-16(25)10(2)18)9-12(22-23)13-6-4-7-26-13/h4,6-10H,3,5H2,1-2H3,(H,20,25)(H,19,21,24).
What are the key properties of 2-chloro-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide?
2-chloro-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide has a molecular weight of 391.88 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(6-oxo-4-propyl-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide is sourced from PubChem (CID 136605017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).