7-(1-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C11H16N4O — CID 136709743

IUPAC7-(1-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC1(C2CCNc3cc(C(N)=O)nn32)CC1
InChIInChI=1S/C11H16N4O/c1-11(3-4-11)8-2-5-13-9-6-7(10(12)16)14-15(8)9/h6,8,13H,2-5H2,1H3,(H2,12,16)
InChIKeyLBDSSDWNTXHCFV-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.14
Rot. Bonds2

About 7-(1-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

7-(1-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 136709743) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 7-(1-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(1-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID136709743
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name7-(1-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC1(C2CCNc3cc(C(N)=O)nn32)CC1
InChIInChI=1S/C11H16N4O/c1-11(3-4-11)8-2-5-13-9-6-7(10(12)16)14-15(8)9/h6,8,13H,2-5H2,1H3,(H2,12,16)
InChIKeyLBDSSDWNTXHCFV-UHFFFAOYSA-N
XLogP1.14
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(1-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 136709743) is 7-(1-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(1-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(1-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is CC1(C2CCNc3cc(C(N)=O)nn32)CC1.
What is the InChIKey of 7-(1-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is LBDSSDWNTXHCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-11(3-4-11)8-2-5-13-9-6-7(10(12)16)14-15(8)9/h6,8,13H,2-5H2,1H3,(H2,12,16).
What are the key properties of 7-(1-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-(1-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylcyclopropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 136709743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).