N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide

C15H17N3O3 — CID 95219990

IUPACN-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cc(C[C@H](C)NC(=O)c2ccc3c(c2)OCO3)n[nH]1
InChIInChI=1S/C15H17N3O3/c1-9(5-12-6-10(2)17-18-12)16-15(19)11-3-4-13-14(7-11)21-8-20-13/h3-4,6-7,9H,5,8H2,1-2H3,(H,16,19)(H,17,18)/t9-/m0/s1
InChIKeyIABZEQHWRZDIEO-VIFPVBQESA-N
MW287.32 g/mol
LogP1.81
Rot. Bonds4

About N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide

N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 95219990) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID95219990
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cc(C[C@H](C)NC(=O)c2ccc3c(c2)OCO3)n[nH]1
InChIInChI=1S/C15H17N3O3/c1-9(5-12-6-10(2)17-18-12)16-15(19)11-3-4-13-14(7-11)21-8-20-13/h3-4,6-7,9H,5,8H2,1-2H3,(H,16,19)(H,17,18)/t9-/m0/s1
InChIKeyIABZEQHWRZDIEO-VIFPVBQESA-N
XLogP1.81
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminopentan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 113376829
1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzotriazole-5-carboxamide
CID 56750222
N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 60911386
N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 136728385
(2R)-2-(1,3-benzodioxole-5-carbonylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 95216398
3,5-dimethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,2-oxazole-4-carboxamide
CID 91761818
N-(3-oxopentan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 64991581
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-benzodioxole-5-carboxamide
CID 43399101
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 70708653
2-methyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 95148304
1-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-[(3R)-2,2,5,5-tetramethyloxolan-3-yl]urea
CID 99820417
N-[(1R)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide
CID 51464805

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide (CID 95219990) is N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide is Cc1cc(C[C@H](C)NC(=O)c2ccc3c(c2)OCO3)n[nH]1.
What is the InChIKey of N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is IABZEQHWRZDIEO-VIFPVBQESA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9(5-12-6-10(2)17-18-12)16-15(19)11-3-4-13-14(7-11)21-8-20-13/h3-4,6-7,9H,5,8H2,1-2H3,(H,16,19)(H,17,18)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide?
N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 95219990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).