N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide

C13H15N5O — CID 103121101

IUPACN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(NCC1=CCNCC1)c1cnn2ccncc12
InChIInChI=1S/C13H15N5O/c19-13(16-7-10-1-3-14-4-2-10)11-8-17-18-6-5-15-9-12(11)18/h1,5-6,8-9,14H,2-4,7H2,(H,16,19)
InChIKeyCTBIOMVOUHDRTE-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.38
Rot. Bonds3

About N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide

N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 103121101) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID103121101
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(NCC1=CCNCC1)c1cnn2ccncc12
InChIInChI=1S/C13H15N5O/c19-13(16-7-10-1-3-14-4-2-10)11-8-17-18-6-5-15-9-12(11)18/h1,5-6,8-9,14H,2-4,7H2,(H,16,19)
InChIKeyCTBIOMVOUHDRTE-UHFFFAOYSA-N
XLogP0.38
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120442
N-(1H-1,2,4-triazol-5-ylmethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120438
N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120573
N-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122096
N-(4-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106845452
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 102922374
N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 99779011
N-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103121083
N-[3-(cyclopropylamino)propyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120602
N-(2-hydroxy-4,4-dimethylpentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 107155250
N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122603
N-(1,3-dibromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122794

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 103121101) is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is O=C(NCC1=CCNCC1)c1cnn2ccncc12.
What is the InChIKey of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is CTBIOMVOUHDRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c19-13(16-7-10-1-3-14-4-2-10)11-8-17-18-6-5-15-9-12(11)18/h1,5-6,8-9,14H,2-4,7H2,(H,16,19).
What are the key properties of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 103121101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).