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

C19H26BrN7O2 — CID 169142051

IUPAC3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;cyclopentane;(1-methylcyclopropyl)carbamic acid
SMILESBrc1cnn2ccnc(Nc3ccn[nH]3)c12.C1CCCC1.CC1(NC(=O)O)CC1
InChIInChI=1S/C9H7BrN6.C5H9NO2.C5H10/c10-6-5-13-16-4-3-11-9(8(6)16)14-7-1-2-12-15-7;1-5(2-3-5)6-4(7)8;1-2-4-5-3-1/h1-5H,(H2,11,12,14,15);6H,2-3H2,1H3,(H,7,8);1-5H2
InChIKeySVWZFCVAZDKGLK-UHFFFAOYSA-N
MW464.37 g/mol
LogP4.72
Rot. Bonds3

About 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;cyclopentane;(1-methylcyclopropyl)carbamic acid

3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;cyclopentane;(1-methylcyclopropyl)carbamic acid (PubChem CID 169142051) has the molecular formula C19H26BrN7O2 and a molecular weight of 464.37 g/mol. Its IUPAC name is 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;cyclopentane;(1-methylcyclopropyl)carbamic acid.

Molecular Properties

Compound Name3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;cyclopentane;(1-methylcyclopropyl)carbamic acid
PubChem CID169142051
Molecular FormulaC19H26BrN7O2
Molecular Weight464.37 g/mol
Exact Mass463.13
IUPAC Name3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;cyclopentane;(1-methylcyclopropyl)carbamic acid
SMILESBrc1cnn2ccnc(Nc3ccn[nH]3)c12.C1CCCC1.CC1(NC(=O)O)CC1
InChIInChI=1S/C9H7BrN6.C5H9NO2.C5H10/c10-6-5-13-16-4-3-11-9(8(6)16)14-7-1-2-12-15-7;1-5(2-3-5)6-4(7)8;1-2-4-5-3-1/h1-5H,(H2,11,12,14,15);6H,2-3H2,1H3,(H,7,8);1-5H2
InChIKeySVWZFCVAZDKGLK-UHFFFAOYSA-N
XLogP4.72
TPSA120.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.37
LogP ≤ 54.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;cyclopentane;(1-methylcyclopropyl)carbamic acid?
The IUPAC name of 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;cyclopentane;(1-methylcyclopropyl)carbamic acid (CID 169142051) is 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;cyclopentane;(1-methylcyclopropyl)carbamic acid.
What is the SMILES notation for 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;cyclopentane;(1-methylcyclopropyl)carbamic acid?
The canonical SMILES for 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;cyclopentane;(1-methylcyclopropyl)carbamic acid is Brc1cnn2ccnc(Nc3ccn[nH]3)c12.C1CCCC1.CC1(NC(=O)O)CC1.
What is the InChIKey of 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;cyclopentane;(1-methylcyclopropyl)carbamic acid?
The InChIKey is SVWZFCVAZDKGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN6.C5H9NO2.C5H10/c10-6-5-13-16-4-3-11-9(8(6)16)14-7-1-2-12-15-7;1-5(2-3-5)6-4(7)8;1-2-4-5-3-1/h1-5H,(H2,11,12,14,15);6H,2-3H2,1H3,(H,7,8);1-5H2.
What are the key properties of 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;cyclopentane;(1-methylcyclopropyl)carbamic acid?
3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;cyclopentane;(1-methylcyclopropyl)carbamic acid has a molecular weight of 464.37 g/mol, XLogP of 4.72, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;cyclopentane;(1-methylcyclopropyl)carbamic acid is sourced from PubChem (CID 169142051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).