N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide

C13H18N4O3 — CID 138023747

IUPACN-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)N[C@H](CO)[C@@H](C)O)n2nc(C)cc2n1
InChIInChI=1S/C13H18N4O3/c1-7-4-11(13(20)15-10(6-18)9(3)19)17-12(14-7)5-8(2)16-17/h4-5,9-10,18-19H,6H2,1-3H3,(H,15,20)/t9-,10-/m1/s1
InChIKeyJZEORDVFDXPGBG-NXEZZACHSA-N
MW278.31 g/mol
LogP-0.18
Rot. Bonds4

About N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide

N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 138023747) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID138023747
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)N[C@H](CO)[C@@H](C)O)n2nc(C)cc2n1
InChIInChI=1S/C13H18N4O3/c1-7-4-11(13(20)15-10(6-18)9(3)19)17-12(14-7)5-8(2)16-17/h4-5,9-10,18-19H,6H2,1-3H3,(H,15,20)/t9-,10-/m1/s1
InChIKeyJZEORDVFDXPGBG-NXEZZACHSA-N
XLogP-0.18
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 138023747) is N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide is Cc1cc(C(=O)N[C@H](CO)[C@@H](C)O)n2nc(C)cc2n1.
What is the InChIKey of N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is JZEORDVFDXPGBG-NXEZZACHSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-7-4-11(13(20)15-10(6-18)9(3)19)17-12(14-7)5-8(2)16-17/h4-5,9-10,18-19H,6H2,1-3H3,(H,15,20)/t9-,10-/m1/s1.
What are the key properties of N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 278.31 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 138023747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).