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

C16H17ClN4O3 — CID 131658315

IUPAC5-(2-chloro-5-methoxybenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2cc(OC)ccc2Cl)Cc2ccnn21
InChIInChI=1S/C16H17ClN4O3/c1-18-15(22)14-9-20(8-10-5-6-19-21(10)14)16(23)12-7-11(24-2)3-4-13(12)17/h3-7,14H,8-9H2,1-2H3,(H,18,22)
InChIKeyRLWPLKZSLSKXGD-UHFFFAOYSA-N
MW348.79 g/mol
LogP1.49
Rot. Bonds3

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

5-(2-chloro-5-methoxybenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (PubChem CID 131658315) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is 5-(2-chloro-5-methoxybenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name5-(2-chloro-5-methoxybenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
PubChem CID131658315
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC Name5-(2-chloro-5-methoxybenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2cc(OC)ccc2Cl)Cc2ccnn21
InChIInChI=1S/C16H17ClN4O3/c1-18-15(22)14-9-20(8-10-5-6-19-21(10)14)16(23)12-7-11(24-2)3-4-13(12)17/h3-7,14H,8-9H2,1-2H3,(H,18,22)
InChIKeyRLWPLKZSLSKXGD-UHFFFAOYSA-N
XLogP1.49
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-ethoxythiophene-2-carbonyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131638609
(7R)-5-(2-cyclopentylacetyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 124800007
(2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone
CID 164894070
[(5aR,8aR)-4-ethyl-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-7-yl]-(2-chloro-5-methoxyphenyl)methanone
CID 124795503
(2-bromo-5-methoxyphenyl)-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122247840
N-cyclopentyl-5-(3-methylfuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693042
4-(2-amino-5-methoxybenzoyl)-N-methylmorpholine-3-carboxamide
CID 83099504
5-butanoyl-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693163
N-cyclopropyl-5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693071
1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide
CID 61106425
[(3aS,6aS)-3a-[(dimethylamino)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(2-chloro-5-methoxyphenyl)methanone
CID 124813107
(2-chloro-5-methoxyphenyl)-[(3R)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418084

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-methoxybenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 5-(2-chloro-5-methoxybenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (CID 131658315) is 5-(2-chloro-5-methoxybenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 5-(2-chloro-5-methoxybenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 5-(2-chloro-5-methoxybenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is CNC(=O)C1CN(C(=O)c2cc(OC)ccc2Cl)Cc2ccnn21.
What is the InChIKey of 5-(2-chloro-5-methoxybenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is RLWPLKZSLSKXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c1-18-15(22)14-9-20(8-10-5-6-19-21(10)14)16(23)12-7-11(24-2)3-4-13(12)17/h3-7,14H,8-9H2,1-2H3,(H,18,22).
What are the key properties of 5-(2-chloro-5-methoxybenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
5-(2-chloro-5-methoxybenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 348.79 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-methoxybenzoyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 131658315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).