N-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide

C12H12N4O — CID 103122096

IUPACN-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC#CCCNC(=O)c1cnn2ccncc12
InChIInChI=1S/C12H12N4O/c1-2-3-4-5-14-12(17)10-8-15-16-7-6-13-9-11(10)16/h6-9H,4-5H2,1H3,(H,14,17)
InChIKeyDGWQVQOCJCZFEZ-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.87
Rot. Bonds3

About N-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide

N-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 103122096) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is N-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID103122096
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC NameN-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC#CCCNC(=O)c1cnn2ccncc12
InChIInChI=1S/C12H12N4O/c1-2-3-4-5-14-12(17)10-8-15-16-7-6-13-9-11(10)16/h6-9H,4-5H2,1H3,(H,14,17)
InChIKeyDGWQVQOCJCZFEZ-UHFFFAOYSA-N
XLogP0.87
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122603
N-(4-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106845452
methyl 6-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)hexanoate
CID 103121150
N-(3-amino-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106243450
N-[3-(cyclopropylamino)propyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120602
N-(3-bromo-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 114163401
4-chloro-N-pent-3-ynylpyridine-3-carboxamide
CID 104581063
N-(1,3-dibromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122794
N-(2,2-diethoxyethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103118121
N-[2-(bromomethyl)-2-ethylbutyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106255619
N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120442
N-(2-hydroxy-4,4-dimethylpentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 107155250

Frequently Asked Questions

What is the IUPAC name of N-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide (CID 103122096) is N-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide is CC#CCCNC(=O)c1cnn2ccncc12.
What is the InChIKey of N-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is DGWQVQOCJCZFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-2-3-4-5-14-12(17)10-8-15-16-7-6-13-9-11(10)16/h6-9H,4-5H2,1H3,(H,14,17).
What are the key properties of N-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide?
N-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 103122096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).