N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide

C20H25N3O5 — CID 42784651

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccc3c(c2)OCO3)CC2COC(C)(C)O2)n(C)n1
InChIInChI=1S/C20H25N3O5/c1-13-7-16(22(4)21-13)19(24)23(10-15-11-27-20(2,3)28-15)9-14-5-6-17-18(8-14)26-12-25-17/h5-8,15H,9-12H2,1-4H3
InChIKeySFLZAMRMSDCWHA-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.25
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 42784651) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID42784651
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccc3c(c2)OCO3)CC2COC(C)(C)O2)n(C)n1
InChIInChI=1S/C20H25N3O5/c1-13-7-16(22(4)21-13)19(24)23(10-15-11-27-20(2,3)28-15)9-14-5-6-17-18(8-14)26-12-25-17/h5-8,15H,9-12H2,1-4H3
InChIKeySFLZAMRMSDCWHA-UHFFFAOYSA-N
XLogP2.25
TPSA75.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 42784653
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide
CID 42796854
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-[(2-phenylpyrazol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 42791830
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide
CID 60655471
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N-[(5-fluoro-1H-indol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 42784713
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 7437588
N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-5-methyl-N-[(2-phenylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 42791822
N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 42791934
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51314651
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-N-(2-phenylethyl)imidazole-4-carboxamide
CID 42789416
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508
N-(3-methoxypropyl)-2,5-dimethyl-N-[[6-(2-methylphenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]pyrazole-3-carboxamide
CID 26355965

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide (CID 42784651) is N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(Cc2ccc3c(c2)OCO3)CC2COC(C)(C)O2)n(C)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is SFLZAMRMSDCWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-13-7-16(22(4)21-13)19(24)23(10-15-11-27-20(2,3)28-15)9-14-5-6-17-18(8-14)26-12-25-17/h5-8,15H,9-12H2,1-4H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 42784651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).