3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide

C7H9ClN4O — CID 84669696

IUPAC3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESNC(=O)C1Cn2ncc(Cl)c2CN1
InChIInChI=1S/C7H9ClN4O/c8-4-1-11-12-3-5(7(9)13)10-2-6(4)12/h1,5,10H,2-3H2,(H2,9,13)
InChIKeyWCYFOLFZLZPQEV-UHFFFAOYSA-N
MW200.63 g/mol
LogP-0.51
Rot. Bonds1

About 3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide

3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 84669696) has the molecular formula C7H9ClN4O and a molecular weight of 200.63 g/mol. Its IUPAC name is 3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID84669696
Molecular FormulaC7H9ClN4O
Molecular Weight200.63 g/mol
Exact Mass200.05
IUPAC Name3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESNC(=O)C1Cn2ncc(Cl)c2CN1
InChIInChI=1S/C7H9ClN4O/c8-4-1-11-12-3-5(7(9)13)10-2-6(4)12/h1,5,10H,2-3H2,(H2,9,13)
InChIKeyWCYFOLFZLZPQEV-UHFFFAOYSA-N
XLogP-0.51
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-6-yl)methanol
CID 84661188
4-(4-fluorophenyl)-5-oxopiperazine-2-carboxamide
CID 175909632
(6S)-3-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 160897353
3-chloro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 122129707
1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4962026
methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate
CID 165444569
2-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)butan-1-one
CID 164651796
2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxylic acid
CID 84657825
(4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-2-ylmethanone
CID 114668046
4-iodopiperazine-2-carboxamide
CID 167254743
4-[2-(4-carbamoyl-2,6-dichloroanilino)-2-oxoethyl]piperazine-2-carboxamide
CID 14722539
1-(3,5-dichloro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698108

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide (CID 84669696) is 3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for 3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide is NC(=O)C1Cn2ncc(Cl)c2CN1.
What is the InChIKey of 3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is WCYFOLFZLZPQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O/c8-4-1-11-12-3-5(7(9)13)10-2-6(4)12/h1,5,10H,2-3H2,(H2,9,13).
What are the key properties of 3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide?
3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 200.63 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 84669696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).