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

C15H19ClF3N5O — CID 136622270

IUPAC6-butan-2-yl-5-chloro-3-(methoxyiminomethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(C)c1c(Cl)nc2c(C=NOC)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
InChIKeyCGVZAMROCRROSY-UHFFFAOYSA-N
MW377.80 g/mol
LogP4.24
Rot. Bonds6

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

6-butan-2-yl-5-chloro-3-(methoxyiminomethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 136622270) 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-(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-(methoxyiminomethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID136622270
Molecular FormulaC15H19ClF3N5O
Molecular Weight377.80 g/mol
Exact Mass377.12
IUPAC Name6-butan-2-yl-5-chloro-3-(methoxyiminomethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(C)c1c(Cl)nc2c(C=NOC)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
InChIKeyCGVZAMROCRROSY-UHFFFAOYSA-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-(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

Related Compounds

5-sec-butyl-6-chloro-2-(4-chloro-1H-pyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-amine
CID 16678108
methyl 6-butan-2-yl-5-chloro-7-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 57977395
8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 68940652
6-Butan-2-yl-5-chloro-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 87739722
6-butan-2-yl-5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 87740251
6-Butan-2-yl-5-chloro-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 87740784
1-[6-Butan-2-yl-5-chloro-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 87740982
6-butan-2-yl-5-chloro-3-(1-methoxyethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 89292550
1-[6-Butan-2-yl-5-chloro-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol
CID 89292551
6-butan-2-yl-5-chloro-3-ethyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143059516
1-[6-butan-2-yl-5-chloro-7-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-1-methoxyethanol
CID 143095633
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

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-5-chloro-3-(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-(methoxyiminomethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 136622270) is 6-butan-2-yl-5-chloro-3-(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-(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-(methoxyiminomethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CCC(C)c1c(Cl)nc2c(C=NOC)cnn2c1NC(C)C(F)(F)F.
What is the InChIKey of 6-butan-2-yl-5-chloro-3-(methoxyiminomethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CGVZAMROCRROSY-UHFFFAOYSA-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.
What are the key properties of 6-butan-2-yl-5-chloro-3-(methoxyiminomethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-butan-2-yl-5-chloro-3-(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-(methoxyiminomethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 136622270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).