6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine

C14H16BrN7 — CID 143439967

IUPAC6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)c(Br)c(N4CCCC4)nc23)cn1
InChIInChI=1S/C14H16BrN7/c1-20-8-9(6-17-20)10-7-18-22-12(16)11(15)14(19-13(10)22)21-4-2-3-5-21/h6-8H,2-5,16H2,1H3
InChIKeyZZVLGSSQPLILTL-UHFFFAOYSA-N
MW362.24 g/mol
LogP2.07
Rot. Bonds2

About 6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143439967) has the molecular formula C14H16BrN7 and a molecular weight of 362.24 g/mol. Its IUPAC name is 6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143439967
Molecular FormulaC14H16BrN7
Molecular Weight362.24 g/mol
Exact Mass361.07
IUPAC Name6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)c(Br)c(N4CCCC4)nc23)cn1
InChIInChI=1S/C14H16BrN7/c1-20-8-9(6-17-20)10-7-18-22-12(16)11(15)14(19-13(10)22)21-4-2-3-5-21/h6-8H,2-5,16H2,1H3
InChIKeyZZVLGSSQPLILTL-UHFFFAOYSA-N
XLogP2.07
TPSA77.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.24
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-5-(3-methyl-1,3-diazinan-1-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 58853475
5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24821405
1-[3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]azepan-1-yl]ethanone
CID 58364631
6-bromo-3-(1-methylpyrazol-4-yl)-5-[2-(propylamino)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 24821246
3-[7-amino-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]borinane-1-carbonitrile;ethane
CID 143436633
6-bromo-3-[(1E)-1-methylsulfanylbuta-1,3-dien-2-yl]-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 143442023
3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71199054
6-bromo-5-[(3S)-3-methylpyrrolidin-1-yl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 71200424
6-bromo-3-(1-methylpyrazol-4-yl)-5-(1-methylsulfonyl-1,4-diazepan-6-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24821321
6-bromo-3-[(1E)-1-methylsulfanylbuta-1,3-dien-2-yl]-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
CID 143442022
6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-(thian-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 158971683
cyclopentane;3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143439835

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 143439967) is 6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(N)c(Br)c(N4CCCC4)nc23)cn1.
What is the InChIKey of 6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZZVLGSSQPLILTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN7/c1-20-8-9(6-17-20)10-7-18-22-12(16)11(15)14(19-13(10)22)21-4-2-3-5-21/h6-8H,2-5,16H2,1H3.
What are the key properties of 6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 362.24 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(1-methylpyrazol-4-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143439967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).