6-butan-2-yl-5-chloro-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C14H15ClF3N5 — CID 87740784

IUPAC6-butan-2-yl-5-chloro-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCC(C)c1c(Cl)nc2c(C#N)cnn2c1NC(C)C(F)(F)F
InChIInChI=1S/C14H15ClF3N5/c1-4-7(2)10-11(15)22-12-9(5-19)6-20-23(12)13(10)21-8(3)14(16,17)18/h6-8,21H,4H2,1-3H3
InChIKeyUQFFFCSEROPRPW-UHFFFAOYSA-N
MW345.76 g/mol
LogP4.13
Rot. Bonds4

About 6-butan-2-yl-5-chloro-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-butan-2-yl-5-chloro-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 87740784) has the molecular formula C14H15ClF3N5 and a molecular weight of 345.76 g/mol. Its IUPAC name is 6-butan-2-yl-5-chloro-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-butan-2-yl-5-chloro-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID87740784
Molecular FormulaC14H15ClF3N5
Molecular Weight345.76 g/mol
Exact Mass345.10
IUPAC Name6-butan-2-yl-5-chloro-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCC(C)c1c(Cl)nc2c(C#N)cnn2c1NC(C)C(F)(F)F
InChIInChI=1S/C14H15ClF3N5/c1-4-7(2)10-11(15)22-12-9(5-19)6-20-23(12)13(10)21-8(3)14(16,17)18/h6-8,21H,4H2,1-3H3
InChIKeyUQFFFCSEROPRPW-UHFFFAOYSA-N
XLogP4.13
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
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
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-cyclopentyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 87798104
5-chloro-6-cyclopentyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 87798189
5-chloro-6-cyclohexyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 87798693
5-chloro-6-cyclohexyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 87798705
6-[(3E,5Z)-6-amino-3-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-5,7-dichloropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 89289171
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

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-5-chloro-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-butan-2-yl-5-chloro-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 87740784) is 6-butan-2-yl-5-chloro-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-butan-2-yl-5-chloro-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-butan-2-yl-5-chloro-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CCC(C)c1c(Cl)nc2c(C#N)cnn2c1NC(C)C(F)(F)F.
What is the InChIKey of 6-butan-2-yl-5-chloro-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is UQFFFCSEROPRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N5/c1-4-7(2)10-11(15)22-12-9(5-19)6-20-23(12)13(10)21-8(3)14(16,17)18/h6-8,21H,4H2,1-3H3.
What are the key properties of 6-butan-2-yl-5-chloro-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-butan-2-yl-5-chloro-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 345.76 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-5-chloro-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 87740784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).