1-bicyclo[1.1.1]pentanylcarbamic acid;2-methyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane

C20H27N7O3 — CID 169141346

IUPAC1-bicyclo[1.1.1]pentanylcarbamic acid;2-methyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane
SMILESC1CCOC1.Cc1cc2c(Nc3ccn[nH]3)nccn2n1.O=C(O)NC12CC(C1)C2
InChIInChI=1S/C10H10N6.C6H9NO2.C4H8O/c1-7-6-8-10(11-4-5-16(8)15-7)13-9-2-3-12-14-9;8-5(9)7-6-1-4(2-6)3-6;1-2-4-5-3-1/h2-6H,1H3,(H2,11,12,13,14);4,7H,1-3H2,(H,8,9);1-4H2
InChIKeyBDAYZDORPOSXSR-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.11
Rot. Bonds3

About 1-bicyclo[1.1.1]pentanylcarbamic acid;2-methyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane

1-bicyclo[1.1.1]pentanylcarbamic acid;2-methyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane (PubChem CID 169141346) has the molecular formula C20H27N7O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1-bicyclo[1.1.1]pentanylcarbamic acid;2-methyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane.

Molecular Properties

Compound Name1-bicyclo[1.1.1]pentanylcarbamic acid;2-methyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane
PubChem CID169141346
Molecular FormulaC20H27N7O3
Molecular Weight413.48 g/mol
Exact Mass413.22
IUPAC Name1-bicyclo[1.1.1]pentanylcarbamic acid;2-methyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane
SMILESC1CCOC1.Cc1cc2c(Nc3ccn[nH]3)nccn2n1.O=C(O)NC12CC(C1)C2
InChIInChI=1S/C10H10N6.C6H9NO2.C4H8O/c1-7-6-8-10(11-4-5-16(8)15-7)13-9-2-3-12-14-9;8-5(9)7-6-1-4(2-6)3-6;1-2-4-5-3-1/h2-6H,1H3,(H2,11,12,13,14);4,7H,1-3H2,(H,8,9);1-4H2
InChIKeyBDAYZDORPOSXSR-UHFFFAOYSA-N
XLogP3.11
TPSA129.46 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[1.1.1]pentanylcarbamic acid;2-methyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane?
The IUPAC name of 1-bicyclo[1.1.1]pentanylcarbamic acid;2-methyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane (CID 169141346) is 1-bicyclo[1.1.1]pentanylcarbamic acid;2-methyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane.
What is the SMILES notation for 1-bicyclo[1.1.1]pentanylcarbamic acid;2-methyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane?
The canonical SMILES for 1-bicyclo[1.1.1]pentanylcarbamic acid;2-methyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane is C1CCOC1.Cc1cc2c(Nc3ccn[nH]3)nccn2n1.O=C(O)NC12CC(C1)C2.
What is the InChIKey of 1-bicyclo[1.1.1]pentanylcarbamic acid;2-methyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane?
The InChIKey is BDAYZDORPOSXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6.C6H9NO2.C4H8O/c1-7-6-8-10(11-4-5-16(8)15-7)13-9-2-3-12-14-9;8-5(9)7-6-1-4(2-6)3-6;1-2-4-5-3-1/h2-6H,1H3,(H2,11,12,13,14);4,7H,1-3H2,(H,8,9);1-4H2.
What are the key properties of 1-bicyclo[1.1.1]pentanylcarbamic acid;2-methyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane?
1-bicyclo[1.1.1]pentanylcarbamic acid;2-methyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane has a molecular weight of 413.48 g/mol, XLogP of 3.11, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[1.1.1]pentanylcarbamic acid;2-methyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrazin-4-amine;oxolane is sourced from PubChem (CID 169141346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).