N-cyclopropyl-5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide

C18H22N4O3S — CID 131648072

IUPACN-cyclopropyl-5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESCS(=O)(=O)c1ccc(CN2Cc3ccnn3C(C(=O)NC3CC3)C2)cc1
InChIInChI=1S/C18H22N4O3S/c1-26(24,25)16-6-2-13(3-7-16)10-21-11-15-8-9-19-22(15)17(12-21)18(23)20-14-4-5-14/h2-3,6-9,14,17H,4-5,10-12H2,1H3,(H,20,23)
InChIKeyLDXHIDJJBBVYBX-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.12
Rot. Bonds5

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

N-cyclopropyl-5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (PubChem CID 131648072) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-cyclopropyl-5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
PubChem CID131648072
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-cyclopropyl-5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
SMILESCS(=O)(=O)c1ccc(CN2Cc3ccnn3C(C(=O)NC3CC3)C2)cc1
InChIInChI=1S/C18H22N4O3S/c1-26(24,25)16-6-2-13(3-7-16)10-21-11-15-8-9-19-22(15)17(12-21)18(23)20-14-4-5-14/h2-3,6-9,14,17H,4-5,10-12H2,1H3,(H,20,23)
InChIKeyLDXHIDJJBBVYBX-UHFFFAOYSA-N
XLogP1.12
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155863814
5-butanoyl-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693163
(7R)-N-cyclopropyl-5-(1H-indol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 124786935
N-cyclobutyl-5-[(2-methoxy-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131655766
5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 50962804
N-cyclopropyl-5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693071
N-cyclobutyl-5-(quinolin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155863120
N-(cyclopropylmethyl)-5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 133142921
N-(cyclopropylmethyl)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131645192
N-cyclopentyl-5-(3-methylfuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693042
N-(3,3-difluorocyclobutyl)-5-(2-methoxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693183
N-[[5-[(3,4-difluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155865427

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide (CID 131648072) is N-cyclopropyl-5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is CS(=O)(=O)c1ccc(CN2Cc3ccnn3C(C(=O)NC3CC3)C2)cc1.
What is the InChIKey of N-cyclopropyl-5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is LDXHIDJJBBVYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-26(24,25)16-6-2-13(3-7-16)10-21-11-15-8-9-19-22(15)17(12-21)18(23)20-14-4-5-14/h2-3,6-9,14,17H,4-5,10-12H2,1H3,(H,20,23).
What are the key properties of N-cyclopropyl-5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide?
N-cyclopropyl-5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 131648072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).