N-[[5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide

C18H26N4O2S — CID 118771862

IUPACN-[[5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide
SMILESCC(C)c1ccc(CN2CCn3nc(CNS(C)(=O)=O)cc3C2)cc1
InChIInChI=1S/C18H26N4O2S/c1-14(2)16-6-4-15(5-7-16)12-21-8-9-22-18(13-21)10-17(20-22)11-19-25(3,23)24/h4-7,10,14,19H,8-9,11-13H2,1-3H3
InChIKeyWCQKFWNKSQIWPI-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.07
Rot. Bonds6

About N-[[5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide

N-[[5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide (PubChem CID 118771862) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[[5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide
PubChem CID118771862
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC NameN-[[5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide
SMILESCC(C)c1ccc(CN2CCn3nc(CNS(C)(=O)=O)cc3C2)cc1
InChIInChI=1S/C18H26N4O2S/c1-14(2)16-6-4-15(5-7-16)12-21-8-9-22-18(13-21)10-17(20-22)11-19-25(3,23)24/h4-7,10,14,19H,8-9,11-13H2,1-3H3
InChIKeyWCQKFWNKSQIWPI-UHFFFAOYSA-N
XLogP2.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(3-phenylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide
CID 118772859
N-[[5-[(5-ethyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanesulfonamide
CID 70736904
N-[3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propyl]methanesulfonamide
CID 86825544
5-[(4-methylsulfonylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 50962804
3-[[5-[(4-chloro-3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea
CID 70778620
1,1-dimethyl-3-[[5-[(4-methylsulfanylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]urea
CID 70719656
N-[[5-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 70783037
4-[[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]benzoic acid
CID 118788965
N-[[5-[(3-chloro-4-ethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 70765722
N-[[5-[(4-propoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 70769683
N-[[5-[[4-(2-aminoethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118763967
N-[[5-[(3,4-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118775970

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide (CID 118771862) is N-[[5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide is CC(C)c1ccc(CN2CCn3nc(CNS(C)(=O)=O)cc3C2)cc1.
What is the InChIKey of N-[[5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide?
The InChIKey is WCQKFWNKSQIWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-14(2)16-6-4-15(5-7-16)12-21-8-9-22-18(13-21)10-17(20-22)11-19-25(3,23)24/h4-7,10,14,19H,8-9,11-13H2,1-3H3.
What are the key properties of N-[[5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide?
N-[[5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide has a molecular weight of 362.50 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-propan-2-ylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 118771862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).