3-bromo-7-(difluoromethyl)-5-(1-ethyl-3-methylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine

C14H14BrF2N5 — CID 4774051

IUPAC3-bromo-7-(difluoromethyl)-5-(1-ethyl-3-methylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCCn1cc(-c2cc(C(F)F)n3nc(C)c(Br)c3n2)c(C)n1
InChIInChI=1S/C14H14BrF2N5/c1-4-21-6-9(7(2)19-21)10-5-11(13(16)17)22-14(18-10)12(15)8(3)20-22/h5-6,13H,4H2,1-3H3
InChIKeyNCBIDRHTVJHONG-UHFFFAOYSA-N
MW370.20 g/mol
LogP3.93
Rot. Bonds3

About 3-bromo-7-(difluoromethyl)-5-(1-ethyl-3-methylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine

3-bromo-7-(difluoromethyl)-5-(1-ethyl-3-methylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 4774051) has the molecular formula C14H14BrF2N5 and a molecular weight of 370.20 g/mol. Its IUPAC name is 3-bromo-7-(difluoromethyl)-5-(1-ethyl-3-methylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-(difluoromethyl)-5-(1-ethyl-3-methylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID4774051
Molecular FormulaC14H14BrF2N5
Molecular Weight370.20 g/mol
Exact Mass369.04
IUPAC Name3-bromo-7-(difluoromethyl)-5-(1-ethyl-3-methylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCCn1cc(-c2cc(C(F)F)n3nc(C)c(Br)c3n2)c(C)n1
InChIInChI=1S/C14H14BrF2N5/c1-4-21-6-9(7(2)19-21)10-5-11(13(16)17)22-14(18-10)12(15)8(3)20-22/h5-6,13H,4H2,1-3H3
InChIKeyNCBIDRHTVJHONG-UHFFFAOYSA-N
XLogP3.93
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.20
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-7-(difluoromethyl)-5-(1,5-dimethylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 4774264
[2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanol
CID 66509490
5-(difluoromethyl)-7-(1-ethyl-3-methylpyrazol-4-yl)-1-methyl-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one
CID 29096285
5-(1-ethyl-3-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 4765648
4-(difluoromethyl)-6-(1-ethyl-3-methylpyrazol-4-yl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine
CID 29096093
5-(difluoromethyl)-7-(1-ethyl-3-methylpyrazol-4-yl)-1-(2-methylphenyl)-2-sulfanylidenepyrido[2,3-d]pyrimidin-4-one
CID 44823655
7-(difluoromethyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19466731
4-(1-ethyl-3-methylpyrazol-4-yl)-1,3-thiazol-2-amine
CID 6485376
ethyl 5-(1-ethyl-3-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 3616553
1-ethyl-3-methyl-4-phenylpyrazole
CID 59678081
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-7-(difluoromethyl)-5-(2-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19452033
6-(difluoromethyl)-3-[[7-(difluoromethyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-(1-ethyl-3-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 19460125

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(difluoromethyl)-5-(1-ethyl-3-methylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-7-(difluoromethyl)-5-(1-ethyl-3-methylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine (CID 4774051) is 3-bromo-7-(difluoromethyl)-5-(1-ethyl-3-methylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-(difluoromethyl)-5-(1-ethyl-3-methylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-7-(difluoromethyl)-5-(1-ethyl-3-methylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine is CCn1cc(-c2cc(C(F)F)n3nc(C)c(Br)c3n2)c(C)n1.
What is the InChIKey of 3-bromo-7-(difluoromethyl)-5-(1-ethyl-3-methylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is NCBIDRHTVJHONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2N5/c1-4-21-6-9(7(2)19-21)10-5-11(13(16)17)22-14(18-10)12(15)8(3)20-22/h5-6,13H,4H2,1-3H3.
What are the key properties of 3-bromo-7-(difluoromethyl)-5-(1-ethyl-3-methylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine?
3-bromo-7-(difluoromethyl)-5-(1-ethyl-3-methylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 370.20 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(difluoromethyl)-5-(1-ethyl-3-methylpyrazol-4-yl)-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4774051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).