N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

C15H18ClN5O2 — CID 167869461

IUPACN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCC1Cn2nc(C(=O)NCCOc3ccc(Cl)cn3)cc2CN1
InChIInChI=1S/C15H18ClN5O2/c1-10-9-21-12(8-18-10)6-13(20-21)15(22)17-4-5-23-14-3-2-11(16)7-19-14/h2-3,6-7,10,18H,4-5,8-9H2,1H3,(H,17,22)
InChIKeyVMOTWUGTMFQLPH-UHFFFAOYSA-N
MW335.80 g/mol
LogP1.23
Rot. Bonds5

About N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 167869461) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID167869461
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCC1Cn2nc(C(=O)NCCOc3ccc(Cl)cn3)cc2CN1
InChIInChI=1S/C15H18ClN5O2/c1-10-9-21-12(8-18-10)6-13(20-21)15(22)17-4-5-23-14-3-2-11(16)7-19-14/h2-3,6-7,10,18H,4-5,8-9H2,1H3,(H,17,22)
InChIKeyVMOTWUGTMFQLPH-UHFFFAOYSA-N
XLogP1.23
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 167869461) is N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide is CC1Cn2nc(C(=O)NCCOc3ccc(Cl)cn3)cc2CN1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is VMOTWUGTMFQLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2/c1-10-9-21-12(8-18-10)6-13(20-21)15(22)17-4-5-23-14-3-2-11(16)7-19-14/h2-3,6-7,10,18H,4-5,8-9H2,1H3,(H,17,22).
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 335.80 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 167869461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).