N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide

C22H17N3O3 — CID 19397856

IUPACN-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cnn(Cc2cccc3ccccc23)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H17N3O3/c26-22(16-8-9-20-21(10-16)28-14-27-20)24-18-11-23-25(13-18)12-17-6-3-5-15-4-1-2-7-19(15)17/h1-11,13H,12,14H2,(H,24,26)
InChIKeySIIQAPQZUQZHAB-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.07
Rot. Bonds4

About N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide

N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 19397856) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID19397856
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC NameN-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1cnn(Cc2cccc3ccccc23)c1)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H17N3O3/c26-22(16-8-9-20-21(10-16)28-14-27-20)24-18-11-23-25(13-18)12-17-6-3-5-15-4-1-2-7-19(15)17/h1-11,13H,12,14H2,(H,24,26)
InChIKeySIIQAPQZUQZHAB-UHFFFAOYSA-N
XLogP4.07
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19399595
4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 19484369
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea
CID 17375236
2-bromo-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19397858
N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416922
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 129354398
4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19263639
N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414095
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 91938263
1-(4-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]urea
CID 19447846
3-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19397968
N-naphthalen-2-yl-1,3-benzodioxole-5-carboxamide
CID 959403

Frequently Asked Questions

What is the IUPAC name of N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide (CID 19397856) is N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1cnn(Cc2cccc3ccccc23)c1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is SIIQAPQZUQZHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c26-22(16-8-9-20-21(10-16)28-14-27-20)24-18-11-23-25(13-18)12-17-6-3-5-15-4-1-2-7-19(15)17/h1-11,13H,12,14H2,(H,24,26).
What are the key properties of N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide?
N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 19397856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).