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

C19H25BrFN7O2 — CID 169140907

IUPAC7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;(1-methylcyclopropyl)carbamic acid
SMILESBrc1cnc(Nc2ccn[nH]2)c2ccnn12.CC1(NC(=O)O)CC1.FC1CCCC1
InChIInChI=1S/C9H7BrN6.C5H9F.C5H9NO2/c10-7-5-11-9(6-1-4-13-16(6)7)14-8-2-3-12-15-8;6-5-3-1-2-4-5;1-5(2-3-5)6-4(7)8/h1-5H,(H2,11,12,14,15);5H,1-4H2;6H,2-3H2,1H3,(H,7,8)
InChIKeyTWUNXJCWXBOWSP-UHFFFAOYSA-N
MW482.36 g/mol
LogP4.66
Rot. Bonds3

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

7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;(1-methylcyclopropyl)carbamic acid (PubChem CID 169140907) has the molecular formula C19H25BrFN7O2 and a molecular weight of 482.36 g/mol. Its IUPAC name is 7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;(1-methylcyclopropyl)carbamic acid.

Molecular Properties

Compound Name7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;(1-methylcyclopropyl)carbamic acid
PubChem CID169140907
Molecular FormulaC19H25BrFN7O2
Molecular Weight482.36 g/mol
Exact Mass481.12
IUPAC Name7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;(1-methylcyclopropyl)carbamic acid
SMILESBrc1cnc(Nc2ccn[nH]2)c2ccnn12.CC1(NC(=O)O)CC1.FC1CCCC1
InChIInChI=1S/C9H7BrN6.C5H9F.C5H9NO2/c10-7-5-11-9(6-1-4-13-16(6)7)14-8-2-3-12-15-8;6-5-3-1-2-4-5;1-5(2-3-5)6-4(7)8/h1-5H,(H2,11,12,14,15);5H,1-4H2;6H,2-3H2,1H3,(H,7,8)
InChIKeyTWUNXJCWXBOWSP-UHFFFAOYSA-N
XLogP4.66
TPSA120.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.36
LogP ≤ 54.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;(1-methylcyclopropyl)carbamic acid?
The IUPAC name of 7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;(1-methylcyclopropyl)carbamic acid (CID 169140907) is 7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;(1-methylcyclopropyl)carbamic acid.
What is the SMILES notation for 7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;(1-methylcyclopropyl)carbamic acid?
The canonical SMILES for 7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;(1-methylcyclopropyl)carbamic acid is Brc1cnc(Nc2ccn[nH]2)c2ccnn12.CC1(NC(=O)O)CC1.FC1CCCC1.
What is the InChIKey of 7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;(1-methylcyclopropyl)carbamic acid?
The InChIKey is TWUNXJCWXBOWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN6.C5H9F.C5H9NO2/c10-7-5-11-9(6-1-4-13-16(6)7)14-8-2-3-12-15-8;6-5-3-1-2-4-5;1-5(2-3-5)6-4(7)8/h1-5H,(H2,11,12,14,15);5H,1-4H2;6H,2-3H2,1H3,(H,7,8).
What are the key properties of 7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;(1-methylcyclopropyl)carbamic acid?
7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;(1-methylcyclopropyl)carbamic acid has a molecular weight of 482.36 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 7-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;fluorocyclopentane;(1-methylcyclopropyl)carbamic acid is sourced from PubChem (CID 169140907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).