5-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C18H19ClN6O — CID 50976056

IUPAC5-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCn1cc(Cl)c(CN2CCn3nc(C(=O)Nc4ccccc4)cc3C2)n1
InChIInChI=1S/C18H19ClN6O/c1-23-11-15(19)17(21-23)12-24-7-8-25-14(10-24)9-16(22-25)18(26)20-13-5-3-2-4-6-13/h2-6,9,11H,7-8,10,12H2,1H3,(H,20,26)
InChIKeyNIHYTWMPHGPALT-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.54
Rot. Bonds4

About 5-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

5-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 50976056) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is 5-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID50976056
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC Name5-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCn1cc(Cl)c(CN2CCn3nc(C(=O)Nc4ccccc4)cc3C2)n1
InChIInChI=1S/C18H19ClN6O/c1-23-11-15(19)17(21-23)12-24-7-8-25-14(10-24)9-16(22-25)18(26)20-13-5-3-2-4-6-13/h2-6,9,11H,7-8,10,12H2,1H3,(H,20,26)
InChIKeyNIHYTWMPHGPALT-UHFFFAOYSA-N
XLogP2.54
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 50976056) is 5-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is Cn1cc(Cl)c(CN2CCn3nc(C(=O)Nc4ccccc4)cc3C2)n1.
What is the InChIKey of 5-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is NIHYTWMPHGPALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-23-11-15(19)17(21-23)12-24-7-8-25-14(10-24)9-16(22-25)18(26)20-13-5-3-2-4-6-13/h2-6,9,11H,7-8,10,12H2,1H3,(H,20,26).
What are the key properties of 5-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
5-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 50976056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).