6-butan-2-yl-5-chloro-3-[(Z)-methoxyiminomethyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C15H19ClF3N5O — CID 147219903

IUPAC6-butan-2-yl-5-chloro-3-[(Z)-methoxyiminomethyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(C)c1c(Cl)nc2c(/C=N\OC)cnn2c1NC(C)C(F)(F)F
InChIInChI=1S/C15H19ClF3N5O/c1-5-8(2)11-12(16)23-13-10(7-21-25-4)6-20-24(13)14(11)22-9(3)15(17,18)19/h6-9,22H,5H2,1-4H3/b21-7-
InChIKeyCGVZAMROCRROSY-YXSASFKJSA-N
MW377.80 g/mol
LogP4.24
Rot. Bonds6

About 6-butan-2-yl-5-chloro-3-[(Z)-methoxyiminomethyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

6-butan-2-yl-5-chloro-3-[(Z)-methoxyiminomethyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 147219903) has the molecular formula C15H19ClF3N5O and a molecular weight of 377.80 g/mol. Its IUPAC name is 6-butan-2-yl-5-chloro-3-[(Z)-methoxyiminomethyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-butan-2-yl-5-chloro-3-[(Z)-methoxyiminomethyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID147219903
Molecular FormulaC15H19ClF3N5O
Molecular Weight377.80 g/mol
Exact Mass377.12
IUPAC Name6-butan-2-yl-5-chloro-3-[(Z)-methoxyiminomethyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(C)c1c(Cl)nc2c(/C=N\OC)cnn2c1NC(C)C(F)(F)F
InChIInChI=1S/C15H19ClF3N5O/c1-5-8(2)11-12(16)23-13-10(7-21-25-4)6-20-24(13)14(11)22-9(3)15(17,18)19/h6-9,22H,5H2,1-4H3/b21-7-
InChIKeyCGVZAMROCRROSY-YXSASFKJSA-N
XLogP4.24
TPSA63.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.80
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-butan-2-yl-5-chloro-3-[(Z)-methoxyiminomethyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-5-chloro-3-[(Z)-methoxyiminomethyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-butan-2-yl-5-chloro-3-[(Z)-methoxyiminomethyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 147219903) is 6-butan-2-yl-5-chloro-3-[(Z)-methoxyiminomethyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-butan-2-yl-5-chloro-3-[(Z)-methoxyiminomethyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-butan-2-yl-5-chloro-3-[(Z)-methoxyiminomethyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CCC(C)c1c(Cl)nc2c(/C=N\OC)cnn2c1NC(C)C(F)(F)F.
What is the InChIKey of 6-butan-2-yl-5-chloro-3-[(Z)-methoxyiminomethyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CGVZAMROCRROSY-YXSASFKJSA-N. The full InChI is InChI=1S/C15H19ClF3N5O/c1-5-8(2)11-12(16)23-13-10(7-21-25-4)6-20-24(13)14(11)22-9(3)15(17,18)19/h6-9,22H,5H2,1-4H3/b21-7-.
What are the key properties of 6-butan-2-yl-5-chloro-3-[(Z)-methoxyiminomethyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-butan-2-yl-5-chloro-3-[(Z)-methoxyiminomethyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 377.80 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-5-chloro-3-[(Z)-methoxyiminomethyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 147219903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).