N'-[(3-chlorophenyl)methoxy]-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide

C17H18ClN5O — CID 155564796

IUPACN'-[(3-chlorophenyl)methoxy]-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide
SMILESCc1nc2c(/C(N)=N/OCc3cccc(Cl)c3)cnn2c(C)c1C
InChIInChI=1S/C17H18ClN5O/c1-10-11(2)21-17-15(8-20-23(17)12(10)3)16(19)22-24-9-13-5-4-6-14(18)7-13/h4-8H,9H2,1-3H3,(H2,19,22)
InChIKeyYTUDFYOTCWGXRR-UHFFFAOYSA-N
MW343.82 g/mol
LogP3.15
Rot. Bonds4

About N'-[(3-chlorophenyl)methoxy]-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide

N'-[(3-chlorophenyl)methoxy]-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide (PubChem CID 155564796) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is N'-[(3-chlorophenyl)methoxy]-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide.

Molecular Properties

Compound NameN'-[(3-chlorophenyl)methoxy]-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide
PubChem CID155564796
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC NameN'-[(3-chlorophenyl)methoxy]-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide
SMILESCc1nc2c(/C(N)=N/OCc3cccc(Cl)c3)cnn2c(C)c1C
InChIInChI=1S/C17H18ClN5O/c1-10-11(2)21-17-15(8-20-23(17)12(10)3)16(19)22-24-9-13-5-4-6-14(18)7-13/h4-8H,9H2,1-3H3,(H2,19,22)
InChIKeyYTUDFYOTCWGXRR-UHFFFAOYSA-N
XLogP3.15
TPSA77.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(3-chlorophenyl)methoxy]-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide?
The IUPAC name of N'-[(3-chlorophenyl)methoxy]-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide (CID 155564796) is N'-[(3-chlorophenyl)methoxy]-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide.
What is the SMILES notation for N'-[(3-chlorophenyl)methoxy]-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide?
The canonical SMILES for N'-[(3-chlorophenyl)methoxy]-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide is Cc1nc2c(/C(N)=N/OCc3cccc(Cl)c3)cnn2c(C)c1C.
What is the InChIKey of N'-[(3-chlorophenyl)methoxy]-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide?
The InChIKey is YTUDFYOTCWGXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-10-11(2)21-17-15(8-20-23(17)12(10)3)16(19)22-24-9-13-5-4-6-14(18)7-13/h4-8H,9H2,1-3H3,(H2,19,22).
What are the key properties of N'-[(3-chlorophenyl)methoxy]-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide?
N'-[(3-chlorophenyl)methoxy]-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide has a molecular weight of 343.82 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-chlorophenyl)methoxy]-5,6,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide is sourced from PubChem (CID 155564796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).