N,N-dimethyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C13H18N6O — CID 136837875

IUPACN,N-dimethyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c1NCCC2c1cnn(C)c1
InChIInChI=1S/C13H18N6O/c1-17(2)13(20)10-7-16-19-11(4-5-14-12(10)19)9-6-15-18(3)8-9/h6-8,11,14H,4-5H2,1-3H3
InChIKeyJQXUQHHNFLWXEC-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.72
Rot. Bonds2

About N,N-dimethyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

N,N-dimethyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136837875) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N,N-dimethyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136837875
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN,N-dimethyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1cnn2c1NCCC2c1cnn(C)c1
InChIInChI=1S/C13H18N6O/c1-17(2)13(20)10-7-16-19-11(4-5-14-12(10)19)9-6-15-18(3)8-9/h6-8,11,14H,4-5H2,1-3H3
InChIKeyJQXUQHHNFLWXEC-UHFFFAOYSA-N
XLogP0.72
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136837875) is N,N-dimethyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C(=O)c1cnn2c1NCCC2c1cnn(C)c1.
What is the InChIKey of N,N-dimethyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JQXUQHHNFLWXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-17(2)13(20)10-7-16-19-11(4-5-14-12(10)19)9-6-15-18(3)8-9/h6-8,11,14H,4-5H2,1-3H3.
What are the key properties of N,N-dimethyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
N,N-dimethyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-(1-methylpyrazol-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136837875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).