4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1-methylpyrazol-3-amine

C11H19N5O2S — CID 61106261

IUPAC4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1-methylpyrazol-3-amine
SMILESCn1cc(S(=O)(=O)N2CCN3CCCC3C2)c(N)n1
InChIInChI=1S/C11H19N5O2S/c1-14-8-10(11(12)13-14)19(17,18)16-6-5-15-4-2-3-9(15)7-16/h8-9H,2-7H2,1H3,(H2,12,13)
InChIKeyHMFJBCVJYOVJIB-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.53
Rot. Bonds2

About 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1-methylpyrazol-3-amine

4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1-methylpyrazol-3-amine (PubChem CID 61106261) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1-methylpyrazol-3-amine
PubChem CID61106261
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1-methylpyrazol-3-amine
SMILESCn1cc(S(=O)(=O)N2CCN3CCCC3C2)c(N)n1
InChIInChI=1S/C11H19N5O2S/c1-14-8-10(11(12)13-14)19(17,18)16-6-5-15-4-2-3-9(15)7-16/h8-9H,2-7H2,1H3,(H2,12,13)
InChIKeyHMFJBCVJYOVJIB-UHFFFAOYSA-N
XLogP-0.53
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-(3-methylpyrrolidin-1-yl)sulfonylpyrazol-3-amine
CID 61225373
1-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
CID 61125152
1-(3-amino-1-methylpyrazol-4-yl)sulfonylpyrrolidine-3-carboxamide
CID 114081675
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylsulfonyl)-1H-pyrazol-5-amine
CID 63151051
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-1-methylpyrazol-3-amine
CID 60814514
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylsulfonyl)-5-bromopyridin-2-amine
CID 63155054
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-5-chloro-2-fluoroaniline
CID 103050808
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3,5-dichloroaniline
CID 61105694
[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-4-pyridinyl]hydrazine
CID 79943584
2-(benzenesulfonyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 6465871
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)benzoic acid
CID 60952156
4-(4-ethoxypiperidin-1-yl)sulfonyl-1-methylpyrazol-3-amine
CID 61219951

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1-methylpyrazol-3-amine?
The IUPAC name of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1-methylpyrazol-3-amine (CID 61106261) is 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1-methylpyrazol-3-amine?
The canonical SMILES for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1-methylpyrazol-3-amine is Cn1cc(S(=O)(=O)N2CCN3CCCC3C2)c(N)n1.
What is the InChIKey of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1-methylpyrazol-3-amine?
The InChIKey is HMFJBCVJYOVJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-14-8-10(11(12)13-14)19(17,18)16-6-5-15-4-2-3-9(15)7-16/h8-9H,2-7H2,1H3,(H2,12,13).
What are the key properties of 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1-methylpyrazol-3-amine?
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1-methylpyrazol-3-amine has a molecular weight of 285.37 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 61106261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).