1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-cyclopropylsulfonyl-3-methylpiperidine-3-carboxamide

C19H30N4O4S — CID 46943688

IUPAC1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-cyclopropylsulfonyl-3-methylpiperidine-3-carboxamide
SMILESCc1cc(C(=O)N2CCCC(C)(C(=O)NS(=O)(=O)C3CC3)C2)nn1C(C)(C)C
InChIInChI=1S/C19H30N4O4S/c1-13-11-15(20-23(13)18(2,3)4)16(24)22-10-6-9-19(5,12-22)17(25)21-28(26,27)14-7-8-14/h11,14H,6-10,12H2,1-5H3,(H,21,25)
InChIKeyYETFSDNQFKGDPX-UHFFFAOYSA-N
MW410.54 g/mol
LogP1.80
Rot. Bonds4

About 1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-cyclopropylsulfonyl-3-methylpiperidine-3-carboxamide

1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-cyclopropylsulfonyl-3-methylpiperidine-3-carboxamide (PubChem CID 46943688) has the molecular formula C19H30N4O4S and a molecular weight of 410.54 g/mol. Its IUPAC name is 1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-cyclopropylsulfonyl-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-cyclopropylsulfonyl-3-methylpiperidine-3-carboxamide
PubChem CID46943688
Molecular FormulaC19H30N4O4S
Molecular Weight410.54 g/mol
Exact Mass410.20
IUPAC Name1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-cyclopropylsulfonyl-3-methylpiperidine-3-carboxamide
SMILESCc1cc(C(=O)N2CCCC(C)(C(=O)NS(=O)(=O)C3CC3)C2)nn1C(C)(C)C
InChIInChI=1S/C19H30N4O4S/c1-13-11-15(20-23(13)18(2,3)4)16(24)22-10-6-9-19(5,12-22)17(25)21-28(26,27)14-7-8-14/h11,14H,6-10,12H2,1-5H3,(H,21,25)
InChIKeyYETFSDNQFKGDPX-UHFFFAOYSA-N
XLogP1.80
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-cyclopropylsulfonyl-3-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-cyclopropylsulfonyl-3-methylpiperidine-3-carboxamide (CID 46943688) is 1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-cyclopropylsulfonyl-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-cyclopropylsulfonyl-3-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-cyclopropylsulfonyl-3-methylpiperidine-3-carboxamide is Cc1cc(C(=O)N2CCCC(C)(C(=O)NS(=O)(=O)C3CC3)C2)nn1C(C)(C)C.
What is the InChIKey of 1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-cyclopropylsulfonyl-3-methylpiperidine-3-carboxamide?
The InChIKey is YETFSDNQFKGDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4S/c1-13-11-15(20-23(13)18(2,3)4)16(24)22-10-6-9-19(5,12-22)17(25)21-28(26,27)14-7-8-14/h11,14H,6-10,12H2,1-5H3,(H,21,25).
What are the key properties of 1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-cyclopropylsulfonyl-3-methylpiperidine-3-carboxamide?
1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-cyclopropylsulfonyl-3-methylpiperidine-3-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-cyclopropylsulfonyl-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 46943688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).