N-(2-acetamidoethyl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide

C15H18N4O3 — CID 56755829

IUPACN-(2-acetamidoethyl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1cc(COc2ccccc2)[nH]n1
InChIInChI=1S/C15H18N4O3/c1-11(20)16-7-8-17-15(21)14-9-12(18-19-14)10-22-13-5-3-2-4-6-13/h2-6,9H,7-8,10H2,1H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyQIWODWVVXTXERM-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.85
Rot. Bonds7

About N-(2-acetamidoethyl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide

N-(2-acetamidoethyl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide (PubChem CID 56755829) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
PubChem CID56755829
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-(2-acetamidoethyl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1cc(COc2ccccc2)[nH]n1
InChIInChI=1S/C15H18N4O3/c1-11(20)16-7-8-17-15(21)14-9-12(18-19-14)10-22-13-5-3-2-4-6-13/h2-6,9H,7-8,10H2,1H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyQIWODWVVXTXERM-UHFFFAOYSA-N
XLogP0.85
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-(propan-2-ylamino)ethyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 56744380
N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95189761
N-(2-acetamidoethyl)-5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56747146
5-[(2-methoxyphenoxy)methyl]-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 56759334
N-(3-hydroxypropyl)-5-[(2-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56760151
N-[(1S)-1-(4-hydroxyphenyl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95218567
N-[[(2R)-oxan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 42519117
N-[(2R)-butan-2-yl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95207016
N-(2-ethoxyethyl)-5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-pyrazole-3-carboxamide
CID 56757658
5-[(3-methoxyphenoxy)methyl]-N-[2-(methylamino)-2-oxoethyl]-1H-pyrazole-3-carboxamide
CID 56756097
5-[(3-methoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 42197018
5-[(3-acetylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 42194211

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide (CID 56755829) is N-(2-acetamidoethyl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide is CC(=O)NCCNC(=O)c1cc(COc2ccccc2)[nH]n1.
What is the InChIKey of N-(2-acetamidoethyl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is QIWODWVVXTXERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-11(20)16-7-8-17-15(21)14-9-12(18-19-14)10-22-13-5-3-2-4-6-13/h2-6,9H,7-8,10H2,1H3,(H,16,20)(H,17,21)(H,18,19).
What are the key properties of N-(2-acetamidoethyl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
N-(2-acetamidoethyl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56755829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).