6-(2-hydroxyethyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H18N4O4 — CID 91797775

IUPAC6-(2-hydroxyethyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1O)c1cnn2cc(CCO)cnc12
InChIInChI=1S/C14H18N4O4/c19-3-1-9-5-15-13-10(6-16-18(13)7-9)14(21)17-11-2-4-22-8-12(11)20/h5-7,11-12,19-20H,1-4,8H2,(H,17,21)/t11-,12-/m1/s1
InChIKeyCWFPZMPANDOQHN-VXGBXAGGSA-N
MW306.32 g/mol
LogP-0.86
Rot. Bonds4

About 6-(2-hydroxyethyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(2-hydroxyethyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 91797775) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID91797775
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name6-(2-hydroxyethyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(N[C@@H]1CCOC[C@H]1O)c1cnn2cc(CCO)cnc12
InChIInChI=1S/C14H18N4O4/c19-3-1-9-5-15-13-10(6-16-18(13)7-9)14(21)17-11-2-4-22-8-12(11)20/h5-7,11-12,19-20H,1-4,8H2,(H,17,21)/t11-,12-/m1/s1
InChIKeyCWFPZMPANDOQHN-VXGBXAGGSA-N
XLogP-0.86
TPSA108.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(2-hydroxyethyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 91797775) is 6-(2-hydroxyethyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(2-hydroxyethyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(2-hydroxyethyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(N[C@@H]1CCOC[C@H]1O)c1cnn2cc(CCO)cnc12.
What is the InChIKey of 6-(2-hydroxyethyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is CWFPZMPANDOQHN-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H18N4O4/c19-3-1-9-5-15-13-10(6-16-18(13)7-9)14(21)17-11-2-4-22-8-12(11)20/h5-7,11-12,19-20H,1-4,8H2,(H,17,21)/t11-,12-/m1/s1.
What are the key properties of 6-(2-hydroxyethyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(2-hydroxyethyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 306.32 g/mol, XLogP of -0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 91797775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).