3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C7H12N4O — CID 121484204

IUPAC3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESNC(=O)N1CCN2NC=CC2C1
InChIInChI=1S/C7H12N4O/c8-7(12)10-3-4-11-6(5-10)1-2-9-11/h1-2,6,9H,3-5H2,(H2,8,12)
InChIKeyFBRPWCPNVYUMFS-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.92
Rot. Bonds

About 3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxamide

3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 121484204) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID121484204
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESNC(=O)N1CCN2NC=CC2C1
InChIInChI=1S/C7H12N4O/c8-7(12)10-3-4-11-6(5-10)1-2-9-11/h1-2,6,9H,3-5H2,(H2,8,12)
InChIKeyFBRPWCPNVYUMFS-UHFFFAOYSA-N
XLogP-0.92
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 121484204) is 3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxamide is NC(=O)N1CCN2NC=CC2C1.
What is the InChIKey of 3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is FBRPWCPNVYUMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c8-7(12)10-3-4-11-6(5-10)1-2-9-11/h1-2,6,9H,3-5H2,(H2,8,12).
What are the key properties of 3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 168.20 g/mol, XLogP of -0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,6,7-tetrahydro-1H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 121484204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).