N-(1,3-benzodioxol-5-ylmethyl)-1-tert-butyl-3-cyclopropyl-N-methylpyrazole-5-carboxamide

C20H25N3O3 — CID 55739101

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-tert-butyl-3-cyclopropyl-N-methylpyrazole-5-carboxamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(C2CC2)nn1C(C)(C)C
InChIInChI=1S/C20H25N3O3/c1-20(2,3)23-16(10-15(21-23)14-6-7-14)19(24)22(4)11-13-5-8-17-18(9-13)26-12-25-17/h5,8-10,14H,6-7,11-12H2,1-4H3
InChIKeyNLNBDCMRRKOUCY-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.52
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-1-tert-butyl-3-cyclopropyl-N-methylpyrazole-5-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-tert-butyl-3-cyclopropyl-N-methylpyrazole-5-carboxamide (PubChem CID 55739101) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-tert-butyl-3-cyclopropyl-N-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-tert-butyl-3-cyclopropyl-N-methylpyrazole-5-carboxamide
PubChem CID55739101
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-tert-butyl-3-cyclopropyl-N-methylpyrazole-5-carboxamide
SMILESCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(C2CC2)nn1C(C)(C)C
InChIInChI=1S/C20H25N3O3/c1-20(2,3)23-16(10-15(21-23)14-6-7-14)19(24)22(4)11-13-5-8-17-18(9-13)26-12-25-17/h5,8-10,14H,6-7,11-12H2,1-4H3
InChIKeyNLNBDCMRRKOUCY-UHFFFAOYSA-N
XLogP3.52
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62081233
N-(1,3-benzodioxol-5-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60655395
N-(1,3-benzodioxol-5-ylmethyl)-2,2,2-trifluoro-N-methylacetamide
CID 62492139
5-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-N-methylthiophene-2-carboxamide
CID 18116239
N-(1,3-benzodioxol-5-ylmethyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 62847623
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-N-methylbenzamide
CID 46653258
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dichloro-N-methylbenzamide
CID 27863693
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide
CID 32754750
3-N-(1,3-benzodioxol-5-ylmethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 35710064
N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethylpyridine-2-carboxamide
CID 32773709
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 62786857
1-tert-butyl-3-cyclopropyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]pyrazole-5-carboxamide
CID 55739359

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-tert-butyl-3-cyclopropyl-N-methylpyrazole-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-tert-butyl-3-cyclopropyl-N-methylpyrazole-5-carboxamide (CID 55739101) is N-(1,3-benzodioxol-5-ylmethyl)-1-tert-butyl-3-cyclopropyl-N-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-tert-butyl-3-cyclopropyl-N-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-tert-butyl-3-cyclopropyl-N-methylpyrazole-5-carboxamide is CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(C2CC2)nn1C(C)(C)C.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-tert-butyl-3-cyclopropyl-N-methylpyrazole-5-carboxamide?
The InChIKey is NLNBDCMRRKOUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-20(2,3)23-16(10-15(21-23)14-6-7-14)19(24)22(4)11-13-5-8-17-18(9-13)26-12-25-17/h5,8-10,14H,6-7,11-12H2,1-4H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-tert-butyl-3-cyclopropyl-N-methylpyrazole-5-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-tert-butyl-3-cyclopropyl-N-methylpyrazole-5-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-tert-butyl-3-cyclopropyl-N-methylpyrazole-5-carboxamide is sourced from PubChem (CID 55739101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).