2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide

C17H16Cl2N4O — CID 90620671

IUPAC2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide
SMILESCc1cc2ncc(CCCNC(=O)c3ccc(Cl)cc3Cl)cn2n1
InChIInChI=1S/C17H16Cl2N4O/c1-11-7-16-21-9-12(10-23(16)22-11)3-2-6-20-17(24)14-5-4-13(18)8-15(14)19/h4-5,7-10H,2-3,6H2,1H3,(H,20,24)
InChIKeyAMDWKYBYJVIXOT-UHFFFAOYSA-N
MW363.25 g/mol
LogP3.71
Rot. Bonds5

About 2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide

2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide (PubChem CID 90620671) has the molecular formula C17H16Cl2N4O and a molecular weight of 363.25 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide
PubChem CID90620671
Molecular FormulaC17H16Cl2N4O
Molecular Weight363.25 g/mol
Exact Mass362.07
IUPAC Name2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide
SMILESCc1cc2ncc(CCCNC(=O)c3ccc(Cl)cc3Cl)cn2n1
InChIInChI=1S/C17H16Cl2N4O/c1-11-7-16-21-9-12(10-23(16)22-11)3-2-6-20-17(24)14-5-4-13(18)8-15(14)19/h4-5,7-10H,2-3,6H2,1H3,(H,20,24)
InChIKeyAMDWKYBYJVIXOT-UHFFFAOYSA-N
XLogP3.71
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide
CID 90620689
1-ethyl-7-methyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 90620663
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-naphthalen-1-ylacetamide
CID 90620692
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 73168295
2-benzylsulfanyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
CID 90620539
2-(4-fluorophenoxy)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
CID 90620524
2-ethyl-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-1,3-benzothiazole-6-carboxamide
CID 90620616
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-2-pyrazol-1-ylacetamide
CID 90620641
1-(2-ethoxyphenyl)-3-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]urea
CID 90620739
N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]-3-(4-nitrophenyl)propanamide
CID 90620614
3-(1,3-dioxoisoindol-2-yl)-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]propanamide
CID 90620660
N-[3-[4-(2-fluorophenyl)phenyl]propyl]-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 138674640

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide (CID 90620671) is 2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide is Cc1cc2ncc(CCCNC(=O)c3ccc(Cl)cc3Cl)cn2n1.
What is the InChIKey of 2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide?
The InChIKey is AMDWKYBYJVIXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O/c1-11-7-16-21-9-12(10-23(16)22-11)3-2-6-20-17(24)14-5-4-13(18)8-15(14)19/h4-5,7-10H,2-3,6H2,1H3,(H,20,24).
What are the key properties of 2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide?
2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide has a molecular weight of 363.25 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)propyl]benzamide is sourced from PubChem (CID 90620671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).