1-bicyclo[1.1.1]pentanylcarbamic acid;7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane

C20H25BrFN7O2 — CID 169143664

IUPAC1-bicyclo[1.1.1]pentanylcarbamic acid;7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane
SMILESBrc1cnc(Nc2ccn[nH]2)c2ccnn12.FC1CCCC1.O=C(O)NC12CC(C1)C2
InChIInChI=1S/C9H7BrN6.C6H9NO2.C5H9F/c10-7-5-11-9(6-1-4-13-16(6)7)14-8-2-3-12-15-8;8-5(9)7-6-1-4(2-6)3-6;6-5-3-1-2-4-5/h1-5H,(H2,11,12,14,15);4,7H,1-3H2,(H,8,9);5H,1-4H2
InChIKeyQIXGTPQSVXJRIB-UHFFFAOYSA-N
MW494.37 g/mol
LogP4.66
Rot. Bonds3

About 1-bicyclo[1.1.1]pentanylcarbamic acid;7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane

1-bicyclo[1.1.1]pentanylcarbamic acid;7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane (PubChem CID 169143664) has the molecular formula C20H25BrFN7O2 and a molecular weight of 494.37 g/mol. Its IUPAC name is 1-bicyclo[1.1.1]pentanylcarbamic acid;7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane.

Molecular Properties

Compound Name1-bicyclo[1.1.1]pentanylcarbamic acid;7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane
PubChem CID169143664
Molecular FormulaC20H25BrFN7O2
Molecular Weight494.37 g/mol
Exact Mass493.12
IUPAC Name1-bicyclo[1.1.1]pentanylcarbamic acid;7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane
SMILESBrc1cnc(Nc2ccn[nH]2)c2ccnn12.FC1CCCC1.O=C(O)NC12CC(C1)C2
InChIInChI=1S/C9H7BrN6.C6H9NO2.C5H9F/c10-7-5-11-9(6-1-4-13-16(6)7)14-8-2-3-12-15-8;8-5(9)7-6-1-4(2-6)3-6;6-5-3-1-2-4-5/h1-5H,(H2,11,12,14,15);4,7H,1-3H2,(H,8,9);5H,1-4H2
InChIKeyQIXGTPQSVXJRIB-UHFFFAOYSA-N
XLogP4.66
TPSA120.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.37
LogP ≤ 54.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[1.1.1]pentanylcarbamic acid;7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane?
The IUPAC name of 1-bicyclo[1.1.1]pentanylcarbamic acid;7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane (CID 169143664) is 1-bicyclo[1.1.1]pentanylcarbamic acid;7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane.
What is the SMILES notation for 1-bicyclo[1.1.1]pentanylcarbamic acid;7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane?
The canonical SMILES for 1-bicyclo[1.1.1]pentanylcarbamic acid;7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane is Brc1cnc(Nc2ccn[nH]2)c2ccnn12.FC1CCCC1.O=C(O)NC12CC(C1)C2.
What is the InChIKey of 1-bicyclo[1.1.1]pentanylcarbamic acid;7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane?
The InChIKey is QIXGTPQSVXJRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN6.C6H9NO2.C5H9F/c10-7-5-11-9(6-1-4-13-16(6)7)14-8-2-3-12-15-8;8-5(9)7-6-1-4(2-6)3-6;6-5-3-1-2-4-5/h1-5H,(H2,11,12,14,15);4,7H,1-3H2,(H,8,9);5H,1-4H2.
What are the key properties of 1-bicyclo[1.1.1]pentanylcarbamic acid;7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane?
1-bicyclo[1.1.1]pentanylcarbamic acid;7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane has a molecular weight of 494.37 g/mol, XLogP of 4.66, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[1.1.1]pentanylcarbamic acid;7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane is sourced from PubChem (CID 169143664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).