6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-cyclopentylcarbamate

C19H26BrN7O2 — CID 143656321

IUPAC6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-cyclopentylcarbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1.Nc1c(Br)cnc2c(-c3cn[nH]c3)cnn12
InChIInChI=1S/C10H19NO2.C9H7BrN6/c1-10(2,3)13-9(12)11-8-6-4-5-7-8;10-7-4-12-9-6(5-1-13-14-2-5)3-15-16(9)8(7)11/h8H,4-7H2,1-3H3,(H,11,12);1-4H,11H2,(H,13,14)
InChIKeyYSICNOVDJTYSQS-UHFFFAOYSA-N
MW464.37 g/mol
LogP3.92
Rot. Bonds2

About 6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-cyclopentylcarbamate

6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-cyclopentylcarbamate (PubChem CID 143656321) has the molecular formula C19H26BrN7O2 and a molecular weight of 464.37 g/mol. Its IUPAC name is 6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-cyclopentylcarbamate.

Molecular Properties

Compound Name6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-cyclopentylcarbamate
PubChem CID143656321
Molecular FormulaC19H26BrN7O2
Molecular Weight464.37 g/mol
Exact Mass463.13
IUPAC Name6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-cyclopentylcarbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1.Nc1c(Br)cnc2c(-c3cn[nH]c3)cnn12
InChIInChI=1S/C10H19NO2.C9H7BrN6/c1-10(2,3)13-9(12)11-8-6-4-5-7-8;10-7-4-12-9-6(5-1-13-14-2-5)3-15-16(9)8(7)11/h8H,4-7H2,1-3H3,(H,11,12);1-4H,11H2,(H,13,14)
InChIKeyYSICNOVDJTYSQS-UHFFFAOYSA-N
XLogP3.92
TPSA123.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.37
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-cyclopentylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(1R,3R)-3-[7-amino-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclopentyl]carbamate
CID 143440074
tert-butyl N-[(3S)-1-(7-amino-3,6-dibromopyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]carbamate
CID 58972390
tert-butyl N-[(3S)-1-(7-amino-6-bromo-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidin-3-yl]carbamate
CID 58972318
6-bromo-5-piperidin-2-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71108599
tert-butyl N-(4-aminocyclooctyl)carbamate
CID 147656644
methyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyrazine-2-carboxylate
CID 67218078
tert-butyl N-[(3S)-1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 169408080
tert-butyl N-[(3R)-1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]carbamate
CID 169408081
tert-butyl N-[(3S)-1-[3-bromo-7-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-yl]carbamate
CID 58972364
8-bromo-2-N-methyl-4-N-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;tert-butyl N-cyclohexylcarbamate
CID 176916982
5-(3-aminocyclohexyl)-6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 78010982
tert-butyl 3-[7-[(3-methyl-1,2-oxazol-5-yl)amino]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 71102619

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-cyclopentylcarbamate?
The IUPAC name of 6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-cyclopentylcarbamate (CID 143656321) is 6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-cyclopentylcarbamate.
What is the SMILES notation for 6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-cyclopentylcarbamate?
The canonical SMILES for 6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-cyclopentylcarbamate is CC(C)(C)OC(=O)NC1CCCC1.Nc1c(Br)cnc2c(-c3cn[nH]c3)cnn12.
What is the InChIKey of 6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-cyclopentylcarbamate?
The InChIKey is YSICNOVDJTYSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C9H7BrN6/c1-10(2,3)13-9(12)11-8-6-4-5-7-8;10-7-4-12-9-6(5-1-13-14-2-5)3-15-16(9)8(7)11/h8H,4-7H2,1-3H3,(H,11,12);1-4H,11H2,(H,13,14).
What are the key properties of 6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-cyclopentylcarbamate?
6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-cyclopentylcarbamate has a molecular weight of 464.37 g/mol, XLogP of 3.92, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl N-cyclopentylcarbamate is sourced from PubChem (CID 143656321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).