1-tert-butyl-5-methyl-N-(1-methylcyclopropyl)sulfonylpyrazole-4-carboxamide

C13H21N3O3S — CID 136542586

IUPAC1-tert-butyl-5-methyl-N-(1-methylcyclopropyl)sulfonylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NS(=O)(=O)C2(C)CC2)cnn1C(C)(C)C
InChIInChI=1S/C13H21N3O3S/c1-9-10(8-14-16(9)12(2,3)4)11(17)15-20(18,19)13(5)6-7-13/h8H,6-7H2,1-5H3,(H,15,17)
InChIKeyMKDJNRDQJJAHOB-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.56
Rot. Bonds3

About 1-tert-butyl-5-methyl-N-(1-methylcyclopropyl)sulfonylpyrazole-4-carboxamide

1-tert-butyl-5-methyl-N-(1-methylcyclopropyl)sulfonylpyrazole-4-carboxamide (PubChem CID 136542586) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-N-(1-methylcyclopropyl)sulfonylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-N-(1-methylcyclopropyl)sulfonylpyrazole-4-carboxamide
PubChem CID136542586
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name1-tert-butyl-5-methyl-N-(1-methylcyclopropyl)sulfonylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NS(=O)(=O)C2(C)CC2)cnn1C(C)(C)C
InChIInChI=1S/C13H21N3O3S/c1-9-10(8-14-16(9)12(2,3)4)11(17)15-20(18,19)13(5)6-7-13/h8H,6-7H2,1-5H3,(H,15,17)
InChIKeyMKDJNRDQJJAHOB-UHFFFAOYSA-N
XLogP1.56
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide
CID 119572405
N-(1-amino-2-methylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119521515
[2-(1-tert-butyl-5-methylpyrazol-4-yl)-2-oxoethyl]phosphonic acid
CID 141201173
1-tert-butyl-N-[(2R)-2-(ethylamino)propyl]-5-methylpyrazole-4-carboxamide
CID 120654519
1-tert-butyl-5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 46486951
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone
CID 120803983
1-tert-butyl-5-methyl-N-(4-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxamide
CID 100647431
1-tert-butyl-5-methyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 120602508
N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119600722
(2S)-2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 119361432
1-tert-butyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-methylpyrazole-4-carboxamide
CID 47037207
1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818036

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-N-(1-methylcyclopropyl)sulfonylpyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-5-methyl-N-(1-methylcyclopropyl)sulfonylpyrazole-4-carboxamide (CID 136542586) is 1-tert-butyl-5-methyl-N-(1-methylcyclopropyl)sulfonylpyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-methyl-N-(1-methylcyclopropyl)sulfonylpyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-5-methyl-N-(1-methylcyclopropyl)sulfonylpyrazole-4-carboxamide is Cc1c(C(=O)NS(=O)(=O)C2(C)CC2)cnn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methyl-N-(1-methylcyclopropyl)sulfonylpyrazole-4-carboxamide?
The InChIKey is MKDJNRDQJJAHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9-10(8-14-16(9)12(2,3)4)11(17)15-20(18,19)13(5)6-7-13/h8H,6-7H2,1-5H3,(H,15,17).
What are the key properties of 1-tert-butyl-5-methyl-N-(1-methylcyclopropyl)sulfonylpyrazole-4-carboxamide?
1-tert-butyl-5-methyl-N-(1-methylcyclopropyl)sulfonylpyrazole-4-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-N-(1-methylcyclopropyl)sulfonylpyrazole-4-carboxamide is sourced from PubChem (CID 136542586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).