2-methyl-N-prop-2-ynylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C11H10N4O — CID 134791665

IUPAC2-methyl-N-prop-2-ynylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESC#CCNC(=O)c1cnc2cc(C)nn2c1
InChIInChI=1S/C11H10N4O/c1-3-4-12-11(16)9-6-13-10-5-8(2)14-15(10)7-9/h1,5-7H,4H2,2H3,(H,12,16)
InChIKeyBFPISTHULNRYIF-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.40
Rot. Bonds2

About 2-methyl-N-prop-2-ynylpyrazolo[1,5-a]pyrimidine-6-carboxamide

2-methyl-N-prop-2-ynylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 134791665) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-methyl-N-prop-2-ynylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-prop-2-ynylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID134791665
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name2-methyl-N-prop-2-ynylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESC#CCNC(=O)c1cnc2cc(C)nn2c1
InChIInChI=1S/C11H10N4O/c1-3-4-12-11(16)9-6-13-10-5-8(2)14-15(10)7-9/h1,5-7H,4H2,2H3,(H,12,16)
InChIKeyBFPISTHULNRYIF-UHFFFAOYSA-N
XLogP0.40
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-prop-2-ynylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-methyl-N-prop-2-ynylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 134791665) is 2-methyl-N-prop-2-ynylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-prop-2-ynylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-methyl-N-prop-2-ynylpyrazolo[1,5-a]pyrimidine-6-carboxamide is C#CCNC(=O)c1cnc2cc(C)nn2c1.
What is the InChIKey of 2-methyl-N-prop-2-ynylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is BFPISTHULNRYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-3-4-12-11(16)9-6-13-10-5-8(2)14-15(10)7-9/h1,5-7H,4H2,2H3,(H,12,16).
What are the key properties of 2-methyl-N-prop-2-ynylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-methyl-N-prop-2-ynylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 214.23 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-ynylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 134791665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).