(3-amino-1H-pyrazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone

C11H19N5O3S — CID 64523295

IUPAC(3-amino-1H-pyrazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2cc(N)n[nH]2)CC1
InChIInChI=1S/C11H19N5O3S/c1-2-7-20(18,19)16-5-3-15(4-6-16)11(17)9-8-10(12)14-13-9/h8H,2-7H2,1H3,(H3,12,13,14)
InChIKeyOIXGCQKGMSEROF-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.51
Rot. Bonds4

About (3-amino-1H-pyrazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone

(3-amino-1H-pyrazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone (PubChem CID 64523295) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is (3-amino-1H-pyrazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-1H-pyrazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
PubChem CID64523295
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC Name(3-amino-1H-pyrazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2cc(N)n[nH]2)CC1
InChIInChI=1S/C11H19N5O3S/c1-2-7-20(18,19)16-5-3-15(4-6-16)11(17)9-8-10(12)14-13-9/h8H,2-7H2,1H3,(H3,12,13,14)
InChIKeyOIXGCQKGMSEROF-UHFFFAOYSA-N
XLogP-0.51
TPSA112.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-propylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 110804798
(3-amino-1H-pyrazol-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 64526017
(4-butylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 110328591
[4-(3-amino-1H-pyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 46987862
(3-amino-1H-pyrazol-5-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107210730
(3-amino-1H-pyrazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 64526002
2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 64523296
(4-fluorophenyl)-(4-propylsulfonylpiperazin-1-yl)methanone;oxalic acid
CID 171154802
(4-fluorophenyl)-(4-propylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798399
(5-hydroxy-3-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 63860083
2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 64523096
(3-amino-1H-pyrazol-5-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283705

Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-pyrazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (3-amino-1H-pyrazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone (CID 64523295) is (3-amino-1H-pyrazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-amino-1H-pyrazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (3-amino-1H-pyrazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone is CCCS(=O)(=O)N1CCN(C(=O)c2cc(N)n[nH]2)CC1.
What is the InChIKey of (3-amino-1H-pyrazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone?
The InChIKey is OIXGCQKGMSEROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-2-7-20(18,19)16-5-3-15(4-6-16)11(17)9-8-10(12)14-13-9/h8H,2-7H2,1H3,(H3,12,13,14).
What are the key properties of (3-amino-1H-pyrazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone?
(3-amino-1H-pyrazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone has a molecular weight of 301.37 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-pyrazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 64523295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).