(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

C11H14N4OS — CID 71977632

IUPAC(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESCSC1=NCCN1C(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C11H14N4OS/c1-17-11-12-5-6-15(11)10(16)9-7-3-2-4-8(7)13-14-9/h2-6H2,1H3,(H,13,14)
InChIKeyCOIDHZCBTQLCLZ-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.07
Rot. Bonds1

About (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (PubChem CID 71977632) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
PubChem CID71977632
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESCSC1=NCCN1C(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C11H14N4OS/c1-17-11-12-5-6-15(11)10(16)9-7-3-2-4-8(7)13-14-9/h2-6H2,1H3,(H,13,14)
InChIKeyCOIDHZCBTQLCLZ-UHFFFAOYSA-N
XLogP1.07
TPSA61.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide
CID 44229278
4-ethyl-2-methyl-5-{[1-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylcarbonyl)piperidin-4-yl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56745641
N-[1-(aminomethyl)cyclopentyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 75513734
3,3-Dimethyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazin-2-one
CID 100678674
N-[1-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 136282694
2-(dimethylamino)-7-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylcarbonyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136100607
[2,2-Dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 146125563
N-[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 56706502
N-methyl-N-[(4-methyl-1,2,3-thiadiazol-5-yl)methyl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 56723057
N-[(1R,3R)-3-aminocyclopentyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 56748987
3-{[4-(Cyclopropylmethyl)-3-isopropyl-1,4-diazepan-1-yl]carbonyl}-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
CID 56869092
N-[(3S*,4R*)-4-propyl-1-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylcarbonyl)-3-pyrrolidinyl]methanesulfonamide
CID 70753264

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The IUPAC name of (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (CID 71977632) is (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.
What is the SMILES notation for (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The canonical SMILES for (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is CSC1=NCCN1C(=O)c1n[nH]c2c1CCC2.
What is the InChIKey of (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The InChIKey is COIDHZCBTQLCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-17-11-12-5-6-15(11)10(16)9-7-3-2-4-8(7)13-14-9/h2-6H2,1H3,(H,13,14).
What are the key properties of (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone has a molecular weight of 250.33 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is sourced from PubChem (CID 71977632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).