(2S)-N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

C15H17N3O3 — CID 92750043

IUPAC(2S)-N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1n[nH]c(C)c1[C@H](C)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H17N3O3/c1-8(14-9(2)17-18-10(14)3)15(19)16-11-4-5-12-13(6-11)21-7-20-12/h4-6,8H,7H2,1-3H3,(H,16,19)(H,17,18)/t8-/m0/s1
InChIKeyBDCSUWCMNSMWID-QMMMGPOBSA-N
MW287.32 g/mol
LogP2.50
Rot. Bonds3

About (2S)-N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

(2S)-N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (PubChem CID 92750043) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2S)-N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
PubChem CID92750043
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(2S)-N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1n[nH]c(C)c1[C@H](C)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H17N3O3/c1-8(14-9(2)17-18-10(14)3)15(19)16-11-4-5-12-13(6-11)21-7-20-12/h4-6,8H,7H2,1-3H3,(H,16,19)(H,17,18)/t8-/m0/s1
InChIKeyBDCSUWCMNSMWID-QMMMGPOBSA-N
XLogP2.50
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-2-ethyl-2-methyl-1,3-benzodioxol-5-yl]propanamide
CID 99637184
N-(4-bromo-3-methylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 20950809
(2R)-N-(1,3-benzodioxol-5-yl)-2-hydroxypropanamide
CID 94681442
N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 20950820
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methoxyphenyl)propanamide
CID 20950780
(2S)-2-amino-N-(1,3-benzodioxol-5-yl)propanamide
CID 22690584
N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
CID 47299436
(2R)-2-(1,3-benzodioxole-5-carbonylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 95216398
N-(2,4-dimethylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 20950798
N-(1,3-benzodioxol-5-yl)-4-(2-methylpropanoylamino)benzamide
CID 970946
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-benzodioxole-5-carboxamide
CID 43399101
(2R)-N-(1,3-benzodioxol-5-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 8516621

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of (2S)-N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (CID 92750043) is (2S)-N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for (2S)-N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for (2S)-N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is Cc1n[nH]c(C)c1[C@H](C)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of (2S)-N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The InChIKey is BDCSUWCMNSMWID-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-8(14-9(2)17-18-10(14)3)15(19)16-11-4-5-12-13(6-11)21-7-20-12/h4-6,8H,7H2,1-3H3,(H,16,19)(H,17,18)/t8-/m0/s1.
What are the key properties of (2S)-N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
(2S)-N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide has a molecular weight of 287.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 92750043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).