3-chloro-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C14H17ClN4O3 — CID 118795094

IUPAC3-chloro-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(C(=O)c1nn2cc(C)cnc2c1Cl)[C@H]1COC[C@@H]1O
InChIInChI=1S/C14H17ClN4O3/c1-3-18(9-6-22-7-10(9)20)14(21)12-11(15)13-16-4-8(2)5-19(13)17-12/h4-5,9-10,20H,3,6-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyHJBKAZKZDFMGMA-UWVGGRQHSA-N
MW324.77 g/mol
LogP0.91
Rot. Bonds3

About 3-chloro-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

3-chloro-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 118795094) has the molecular formula C14H17ClN4O3 and a molecular weight of 324.77 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID118795094
Molecular FormulaC14H17ClN4O3
Molecular Weight324.77 g/mol
Exact Mass324.10
IUPAC Name3-chloro-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(C(=O)c1nn2cc(C)cnc2c1Cl)[C@H]1COC[C@@H]1O
InChIInChI=1S/C14H17ClN4O3/c1-3-18(9-6-22-7-10(9)20)14(21)12-11(15)13-16-4-8(2)5-19(13)17-12/h4-5,9-10,20H,3,6-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyHJBKAZKZDFMGMA-UWVGGRQHSA-N
XLogP0.91
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 118795094) is 3-chloro-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is CCN(C(=O)c1nn2cc(C)cnc2c1Cl)[C@H]1COC[C@@H]1O.
What is the InChIKey of 3-chloro-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HJBKAZKZDFMGMA-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H17ClN4O3/c1-3-18(9-6-22-7-10(9)20)14(21)12-11(15)13-16-4-8(2)5-19(13)17-12/h4-5,9-10,20H,3,6-7H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of 3-chloro-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 324.77 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 118795094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).