N-(2-hydroxyethyl)-5-(1-phenyltetrazol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C16H18N8O2 — CID 50979019

IUPACN-(2-hydroxyethyl)-5-(1-phenyltetrazol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NCCO)c1cc2n(n1)CCN(c1nnnn1-c1ccccc1)C2
InChIInChI=1S/C16H18N8O2/c25-9-6-17-15(26)14-10-13-11-22(7-8-23(13)19-14)16-18-20-21-24(16)12-4-2-1-3-5-12/h1-5,10,25H,6-9,11H2,(H,17,26)
InChIKeyKHZKZSYVLISQSB-UHFFFAOYSA-N
MW354.37 g/mol
LogP-0.40
Rot. Bonds5

About N-(2-hydroxyethyl)-5-(1-phenyltetrazol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-(2-hydroxyethyl)-5-(1-phenyltetrazol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 50979019) has the molecular formula C16H18N8O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-(1-phenyltetrazol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-(1-phenyltetrazol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID50979019
Molecular FormulaC16H18N8O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC NameN-(2-hydroxyethyl)-5-(1-phenyltetrazol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C(NCCO)c1cc2n(n1)CCN(c1nnnn1-c1ccccc1)C2
InChIInChI=1S/C16H18N8O2/c25-9-6-17-15(26)14-10-13-11-22(7-8-23(13)19-14)16-18-20-21-24(16)12-4-2-1-3-5-12/h1-5,10,25H,6-9,11H2,(H,17,26)
InChIKeyKHZKZSYVLISQSB-UHFFFAOYSA-N
XLogP-0.40
TPSA113.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-(1-phenyltetrazol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5-(1-phenyltetrazol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 50979019) is N-(2-hydroxyethyl)-5-(1-phenyltetrazol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-(1-phenyltetrazol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-(1-phenyltetrazol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is O=C(NCCO)c1cc2n(n1)CCN(c1nnnn1-c1ccccc1)C2.
What is the InChIKey of N-(2-hydroxyethyl)-5-(1-phenyltetrazol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is KHZKZSYVLISQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O2/c25-9-6-17-15(26)14-10-13-11-22(7-8-23(13)19-14)16-18-20-21-24(16)12-4-2-1-3-5-12/h1-5,10,25H,6-9,11H2,(H,17,26).
What are the key properties of N-(2-hydroxyethyl)-5-(1-phenyltetrazol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-(2-hydroxyethyl)-5-(1-phenyltetrazol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 354.37 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-(1-phenyltetrazol-5-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 50979019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).