(3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonyl-1-propylpyrazol-4-yl)methanone

C17H25N5O3S — CID 91895132

IUPAC(3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)n2nc(C)cc2C)c(S(=O)(=O)N2CCCCC2)n1
InChIInChI=1S/C17H25N5O3S/c1-4-8-20-12-15(17(23)22-14(3)11-13(2)18-22)16(19-20)26(24,25)21-9-6-5-7-10-21/h11-12H,4-10H2,1-3H3
InChIKeyLBPZNBJDWIRHQK-UHFFFAOYSA-N
MW379.49 g/mol
LogP1.97
Rot. Bonds5

About (3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonyl-1-propylpyrazol-4-yl)methanone

(3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonyl-1-propylpyrazol-4-yl)methanone (PubChem CID 91895132) has the molecular formula C17H25N5O3S and a molecular weight of 379.49 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonyl-1-propylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonyl-1-propylpyrazol-4-yl)methanone
PubChem CID91895132
Molecular FormulaC17H25N5O3S
Molecular Weight379.49 g/mol
Exact Mass379.17
IUPAC Name(3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonyl-1-propylpyrazol-4-yl)methanone
SMILESCCCn1cc(C(=O)n2nc(C)cc2C)c(S(=O)(=O)N2CCCCC2)n1
InChIInChI=1S/C17H25N5O3S/c1-4-8-20-12-15(17(23)22-14(3)11-13(2)18-22)16(19-20)26(24,25)21-9-6-5-7-10-21/h11-12H,4-10H2,1-3H3
InChIKeyLBPZNBJDWIRHQK-UHFFFAOYSA-N
XLogP1.97
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(azepan-1-ylsulfonyl)phenyl]-(3,5-dimethylpyrazol-1-yl)methanone
CID 1287255
(3,5-dimethylpyrazol-1-yl)-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 974222
(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-(3,5-dimethylpyrazol-1-yl)methanone
CID 7424627
[3-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 53336711
N-(3-chlorophenyl)-1-ethyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide
CID 83273764
[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-propylpyrazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 53336632
3-(azepan-1-ylsulfonyl)-1-ethyl-N-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 53143017
1-[(2-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylpyrazole-4-carboxylic acid
CID 53172500
3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(2-methoxyethyl)-1-propylpyrazole-4-carboxamide
CID 53142803
3-(azepan-1-ylsulfonyl)-N-(3-ethylphenyl)-1-methylpyrazole-4-carboxamide
CID 53142985
3-(azepan-1-ylsulfonyl)-1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 53143029
methyl 3-[[3-(azepan-1-ylsulfonyl)-1-methylpyrazole-4-carbonyl]amino]benzoate
CID 53142997

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonyl-1-propylpyrazol-4-yl)methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonyl-1-propylpyrazol-4-yl)methanone (CID 91895132) is (3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonyl-1-propylpyrazol-4-yl)methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonyl-1-propylpyrazol-4-yl)methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonyl-1-propylpyrazol-4-yl)methanone is CCCn1cc(C(=O)n2nc(C)cc2C)c(S(=O)(=O)N2CCCCC2)n1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonyl-1-propylpyrazol-4-yl)methanone?
The InChIKey is LBPZNBJDWIRHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S/c1-4-8-20-12-15(17(23)22-14(3)11-13(2)18-22)16(19-20)26(24,25)21-9-6-5-7-10-21/h11-12H,4-10H2,1-3H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonyl-1-propylpyrazol-4-yl)methanone?
(3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonyl-1-propylpyrazol-4-yl)methanone has a molecular weight of 379.49 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-(3-piperidin-1-ylsulfonyl-1-propylpyrazol-4-yl)methanone is sourced from PubChem (CID 91895132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).