(4-amino-1-methylpyrazol-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone

C11H18N4OS — CID 114236470

IUPAC(4-amino-1-methylpyrazol-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone
SMILESCSC1CCN(C(=O)c2c(N)cnn2C)CC1
InChIInChI=1S/C11H18N4OS/c1-14-10(9(12)7-13-14)11(16)15-5-3-8(17-2)4-6-15/h7-8H,3-6,12H2,1-2H3
InChIKeyUPNDDJBCXJZOMH-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.97
Rot. Bonds2

About (4-amino-1-methylpyrazol-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone

(4-amino-1-methylpyrazol-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone (PubChem CID 114236470) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is (4-amino-1-methylpyrazol-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-methylpyrazol-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone
PubChem CID114236470
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name(4-amino-1-methylpyrazol-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone
SMILESCSC1CCN(C(=O)c2c(N)cnn2C)CC1
InChIInChI=1S/C11H18N4OS/c1-14-10(9(12)7-13-14)11(16)15-5-3-8(17-2)4-6-15/h7-8H,3-6,12H2,1-2H3
InChIKeyUPNDDJBCXJZOMH-UHFFFAOYSA-N
XLogP0.97
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-1-methylpyrazol-5-yl)-(4-ethylpiperidin-1-yl)methanone
CID 65359976
(4-amino-1-methylpyrazol-5-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 65359274
N-[1-(4-amino-1-methylpyrazole-5-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 65359684
(4-amino-1-methylpyrazol-5-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 65359734
(4-amino-1-methylpyrazol-5-yl)-(4-propylpiperazin-1-yl)methanone
CID 65355801
(4-amino-1-methylpyrazol-5-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 65359335
(4-amino-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 65356023
(4-amino-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104966891
(4-amino-1-methylpyrazol-5-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355021
2-(4-amino-1-methylpyrazole-5-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82857155
4-amino-1-methyl-N-(3-methylsulfanylcyclohexyl)pyrazole-5-carboxamide
CID 114122196
(4-amino-1-methylpyrazol-5-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 65359569

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrazol-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-1-methylpyrazol-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone (CID 114236470) is (4-amino-1-methylpyrazol-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-methylpyrazol-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-methylpyrazol-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone is CSC1CCN(C(=O)c2c(N)cnn2C)CC1.
What is the InChIKey of (4-amino-1-methylpyrazol-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone?
The InChIKey is UPNDDJBCXJZOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-14-10(9(12)7-13-14)11(16)15-5-3-8(17-2)4-6-15/h7-8H,3-6,12H2,1-2H3.
What are the key properties of (4-amino-1-methylpyrazol-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone?
(4-amino-1-methylpyrazol-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone has a molecular weight of 254.36 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrazol-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone is sourced from PubChem (CID 114236470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).