N-(3-acetamidophenyl)-3-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide

C16H21N5O2 — CID 91844009

IUPACN-(3-acetamidophenyl)-3-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCN(C)Cc2ccn[nH]2)c1
InChIInChI=1S/C16H21N5O2/c1-12(22)18-13-4-3-5-14(10-13)19-16(23)7-9-21(2)11-15-6-8-17-20-15/h3-6,8,10H,7,9,11H2,1-2H3,(H,17,20)(H,18,22)(H,19,23)
InChIKeyQMWSCWHMVRLDPV-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.83
Rot. Bonds7

About N-(3-acetamidophenyl)-3-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide

N-(3-acetamidophenyl)-3-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide (PubChem CID 91844009) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide
PubChem CID91844009
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-(3-acetamidophenyl)-3-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCN(C)Cc2ccn[nH]2)c1
InChIInChI=1S/C16H21N5O2/c1-12(22)18-13-4-3-5-14(10-13)19-16(23)7-9-21(2)11-15-6-8-17-20-15/h3-6,8,10H,7,9,11H2,1-2H3,(H,17,20)(H,18,22)(H,19,23)
InChIKeyQMWSCWHMVRLDPV-UHFFFAOYSA-N
XLogP1.83
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide
CID 43662428
N-(3-acetamidophenyl)-3-(N-methylanilino)propanamide
CID 109034676
4-(3-acetamidoanilino)-4-oxobutanoic acid
CID 825460
N-(3-acetamidophenyl)-3-bromopropanamide
CID 115571578
N-(3-acetamidophenyl)-2-sulfanylacetamide
CID 60650093
N-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
CID 113120288
N-(4-acetamidophenyl)-3-[benzyl(methyl)amino]propanamide
CID 109020641
N-(3-acetamidophenyl)-2-[butyl(methyl)amino]acetamide
CID 27068519
N-(3-acetylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026236
N-(3-acetamidophenyl)-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139844
N-(4-acetamidophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026239
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 17431317

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide (CID 91844009) is N-(3-acetamidophenyl)-3-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide is CC(=O)Nc1cccc(NC(=O)CCN(C)Cc2ccn[nH]2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide?
The InChIKey is QMWSCWHMVRLDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-12(22)18-13-4-3-5-14(10-13)19-16(23)7-9-21(2)11-15-6-8-17-20-15/h3-6,8,10H,7,9,11H2,1-2H3,(H,17,20)(H,18,22)(H,19,23).
What are the key properties of N-(3-acetamidophenyl)-3-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide?
N-(3-acetamidophenyl)-3-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide has a molecular weight of 315.38 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-[methyl(1H-pyrazol-5-ylmethyl)amino]propanamide is sourced from PubChem (CID 91844009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).