N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-cyclopropyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H18BrF3N6O — CID 19440935

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-cyclopropyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1ncc(Br)c1CN(C)C(=O)c1cnn2c(C(F)(F)F)cc(C3CC3)nc12
InChIInChI=1S/C18H18BrF3N6O/c1-3-27-14(12(19)8-23-27)9-26(2)17(29)11-7-24-28-15(18(20,21)22)6-13(10-4-5-10)25-16(11)28/h6-8,10H,3-5,9H2,1-2H3
InChIKeyRZDXJTRHIMRBDL-UHFFFAOYSA-N
MW471.28 g/mol
LogP3.88
Rot. Bonds5

About N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-cyclopropyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-cyclopropyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19440935) has the molecular formula C18H18BrF3N6O and a molecular weight of 471.28 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-cyclopropyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-cyclopropyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19440935
Molecular FormulaC18H18BrF3N6O
Molecular Weight471.28 g/mol
Exact Mass470.07
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-cyclopropyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1ncc(Br)c1CN(C)C(=O)c1cnn2c(C(F)(F)F)cc(C3CC3)nc12
InChIInChI=1S/C18H18BrF3N6O/c1-3-27-14(12(19)8-23-27)9-26(2)17(29)11-7-24-28-15(18(20,21)22)6-13(10-4-5-10)25-16(11)28/h6-8,10H,3-5,9H2,1-2H3
InChIKeyRZDXJTRHIMRBDL-UHFFFAOYSA-N
XLogP3.88
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.28
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-cyclopropyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-cyclopropyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19440935) is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-cyclopropyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-cyclopropyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-cyclopropyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1ncc(Br)c1CN(C)C(=O)c1cnn2c(C(F)(F)F)cc(C3CC3)nc12.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-cyclopropyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RZDXJTRHIMRBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrF3N6O/c1-3-27-14(12(19)8-23-27)9-26(2)17(29)11-7-24-28-15(18(20,21)22)6-13(10-4-5-10)25-16(11)28/h6-8,10H,3-5,9H2,1-2H3.
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-cyclopropyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-cyclopropyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 471.28 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-cyclopropyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19440935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).