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

C15H20ClF3N4 — CID 143059516

IUPAC6-butan-2-yl-5-chloro-3-ethyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cnn2c(NC(C)C(F)(F)F)c(C(C)CC)c(Cl)nc12
InChIInChI=1S/C15H20ClF3N4/c1-5-8(3)11-12(16)22-13-10(6-2)7-20-23(13)14(11)21-9(4)15(17,18)19/h7-9,21H,5-6H2,1-4H3
InChIKeyNLYWKIVKSOBTEB-UHFFFAOYSA-N
MW348.80 g/mol
LogP4.82
Rot. Bonds5

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

6-butan-2-yl-5-chloro-3-ethyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143059516) has the molecular formula C15H20ClF3N4 and a molecular weight of 348.80 g/mol. Its IUPAC name is 6-butan-2-yl-5-chloro-3-ethyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-butan-2-yl-5-chloro-3-ethyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143059516
Molecular FormulaC15H20ClF3N4
Molecular Weight348.80 g/mol
Exact Mass348.13
IUPAC Name6-butan-2-yl-5-chloro-3-ethyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cnn2c(NC(C)C(F)(F)F)c(C(C)CC)c(Cl)nc12
InChIInChI=1S/C15H20ClF3N4/c1-5-8(3)11-12(16)22-13-10(6-2)7-20-23(13)14(11)21-9(4)15(17,18)19/h7-9,21H,5-6H2,1-4H3
InChIKeyNLYWKIVKSOBTEB-UHFFFAOYSA-N
XLogP4.82
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.80
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-sec-butyl-6-chloro-2-(4-chloro-1H-pyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-amine
CID 16678108
6-butan-2-yl-5-chloro-7-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 57977436
8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 68940652
5-sec-butyl-6-chloro-2-(1H-pyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-amine
CID 86627601
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
5-chloro-6-cyclopentyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 87797982
5-chloro-6-propan-2-yl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 87798073
5-chloro-6-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 87798075
5-chloro-6-cyclopentyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 87798104

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-5-chloro-3-ethyl-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-ethyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 143059516) is 6-butan-2-yl-5-chloro-3-ethyl-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-ethyl-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-ethyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CCc1cnn2c(NC(C)C(F)(F)F)c(C(C)CC)c(Cl)nc12.
What is the InChIKey of 6-butan-2-yl-5-chloro-3-ethyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NLYWKIVKSOBTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N4/c1-5-8(3)11-12(16)22-13-10(6-2)7-20-23(13)14(11)21-9(4)15(17,18)19/h7-9,21H,5-6H2,1-4H3.
What are the key properties of 6-butan-2-yl-5-chloro-3-ethyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-butan-2-yl-5-chloro-3-ethyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 348.80 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-5-chloro-3-ethyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143059516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).