2-chloro-N-[2-[4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]acetamide

C17H18ClN7O2 — CID 133054008

IUPAC2-chloro-N-[2-[4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]acetamide
SMILESCC(C)c1c(-c2cnn(CCNC(=O)CCl)c2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C17H18ClN7O2/c1-10(2)14-15(23-16-11(6-19)7-22-25(16)17(14)27)12-8-21-24(9-12)4-3-20-13(26)5-18/h7-10,22H,3-5H2,1-2H3,(H,20,26)
InChIKeyZKDGOWIVNWVTDQ-UHFFFAOYSA-N
MW387.83 g/mol
LogP1.24
Rot. Bonds6

About 2-chloro-N-[2-[4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]acetamide

2-chloro-N-[2-[4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]acetamide (PubChem CID 133054008) has the molecular formula C17H18ClN7O2 and a molecular weight of 387.83 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]acetamide
PubChem CID133054008
Molecular FormulaC17H18ClN7O2
Molecular Weight387.83 g/mol
Exact Mass387.12
IUPAC Name2-chloro-N-[2-[4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]acetamide
SMILESCC(C)c1c(-c2cnn(CCNC(=O)CCl)c2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C17H18ClN7O2/c1-10(2)14-15(23-16-11(6-19)7-22-25(16)17(14)27)12-8-21-24(9-12)4-3-20-13(26)5-18/h7-10,22H,3-5H2,1-2H3,(H,20,26)
InChIKeyZKDGOWIVNWVTDQ-UHFFFAOYSA-N
XLogP1.24
TPSA120.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.83
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[2-[4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-[4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]acetamide (CID 133054008) is 2-chloro-N-[2-[4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-[4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-[4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]acetamide is CC(C)c1c(-c2cnn(CCNC(=O)CCl)c2)nc2c(C#N)c[nH]n2c1=O.
What is the InChIKey of 2-chloro-N-[2-[4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]acetamide?
The InChIKey is ZKDGOWIVNWVTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN7O2/c1-10(2)14-15(23-16-11(6-19)7-22-25(16)17(14)27)12-8-21-24(9-12)4-3-20-13(26)5-18/h7-10,22H,3-5H2,1-2H3,(H,20,26).
What are the key properties of 2-chloro-N-[2-[4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]acetamide?
2-chloro-N-[2-[4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]acetamide has a molecular weight of 387.83 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[4-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 133054008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).