3-bromo-2-(cyclopropylmethoxy)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

C16H16BrF3N4O3 — CID 172615282

IUPAC3-bromo-2-(cyclopropylmethoxy)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C(NC1CC(OC(F)(F)F)C1)c1ccnc2c(Br)c(OCC3CC3)nn12
InChIInChI=1S/C16H16BrF3N4O3/c17-12-13-21-4-3-11(24(13)23-15(12)26-7-8-1-2-8)14(25)22-9-5-10(6-9)27-16(18,19)20/h3-4,8-10H,1-2,5-7H2,(H,22,25)
InChIKeyHGNHXKBTZLFUML-UHFFFAOYSA-N
MW449.23 g/mol
LogP3.08
Rot. Bonds6

About 3-bromo-2-(cyclopropylmethoxy)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide

3-bromo-2-(cyclopropylmethoxy)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 172615282) has the molecular formula C16H16BrF3N4O3 and a molecular weight of 449.23 g/mol. Its IUPAC name is 3-bromo-2-(cyclopropylmethoxy)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name3-bromo-2-(cyclopropylmethoxy)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID172615282
Molecular FormulaC16H16BrF3N4O3
Molecular Weight449.23 g/mol
Exact Mass448.04
IUPAC Name3-bromo-2-(cyclopropylmethoxy)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESO=C(NC1CC(OC(F)(F)F)C1)c1ccnc2c(Br)c(OCC3CC3)nn12
InChIInChI=1S/C16H16BrF3N4O3/c17-12-13-21-4-3-11(24(13)23-15(12)26-7-8-1-2-8)14(25)22-9-5-10(6-9)27-16(18,19)20/h3-4,8-10H,1-2,5-7H2,(H,22,25)
InChIKeyHGNHXKBTZLFUML-UHFFFAOYSA-N
XLogP3.08
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.23
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-2-(bromomethyl)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 172615126
3-cyano-2-(hydroxymethyl)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 172615446
2-cyclopropyl-7-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615470
3-bromo-N-(3,3-difluorocyclobutyl)-2-(1,3-oxazol-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 172615482
N-cyclopropyl-2-ethylsulfonyl-3-[6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 177236448
7-N-cyclohexyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615494
N-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110848067
4-bromo-N-(3-methoxycyclobutyl)-1-methylpyrrole-2-carboxamide
CID 104578412
7-N-(3,3-difluorocyclobutyl)-2-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615614
7-N-(3,3-difluorocyclobutyl)-2-(propan-2-yloxymethyl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615168
7-N-(3,3-difluorocyclobutyl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 172615593
4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide
CID 61244506

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(cyclopropylmethoxy)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 3-bromo-2-(cyclopropylmethoxy)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 172615282) is 3-bromo-2-(cyclopropylmethoxy)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 3-bromo-2-(cyclopropylmethoxy)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 3-bromo-2-(cyclopropylmethoxy)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is O=C(NC1CC(OC(F)(F)F)C1)c1ccnc2c(Br)c(OCC3CC3)nn12.
What is the InChIKey of 3-bromo-2-(cyclopropylmethoxy)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is HGNHXKBTZLFUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF3N4O3/c17-12-13-21-4-3-11(24(13)23-15(12)26-7-8-1-2-8)14(25)22-9-5-10(6-9)27-16(18,19)20/h3-4,8-10H,1-2,5-7H2,(H,22,25).
What are the key properties of 3-bromo-2-(cyclopropylmethoxy)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide?
3-bromo-2-(cyclopropylmethoxy)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 449.23 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(cyclopropylmethoxy)-N-[3-(trifluoromethoxy)cyclobutyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 172615282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).