formic acid;N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-pyrazol-1-ylacetamide

C19H23N5O3 — CID 154910019

IUPACformic acid;N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-pyrazol-1-ylacetamide
SMILESCc1nccn1CCC(NC(=O)Cn1cccn1)c1ccccc1.O=CO
InChIInChI=1S/C18H21N5O.CH2O2/c1-15-19-10-13-22(15)12-8-17(16-6-3-2-4-7-16)21-18(24)14-23-11-5-9-20-23;2-1-3/h2-7,9-11,13,17H,8,12,14H2,1H3,(H,21,24);1H,(H,2,3)
InChIKeyQSUMTXIHCBQCQB-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.04
Rot. Bonds7

About formic acid;N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-pyrazol-1-ylacetamide

formic acid;N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-pyrazol-1-ylacetamide (PubChem CID 154910019) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is formic acid;N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound Nameformic acid;N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-pyrazol-1-ylacetamide
PubChem CID154910019
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Nameformic acid;N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-pyrazol-1-ylacetamide
SMILESCc1nccn1CCC(NC(=O)Cn1cccn1)c1ccccc1.O=CO
InChIInChI=1S/C18H21N5O.CH2O2/c1-15-19-10-13-22(15)12-8-17(16-6-3-2-4-7-16)21-18(24)14-23-11-5-9-20-23;2-1-3/h2-7,9-11,13,17H,8,12,14H2,1H3,(H,21,24);1H,(H,2,3)
InChIKeyQSUMTXIHCBQCQB-UHFFFAOYSA-N
XLogP2.04
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 91796873
2-(4-methyl-1,4-diazepan-1-yl)-N-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]acetamide
CID 125160415
1-methyl-N-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 96572217
N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-1H-benzimidazole-2-carboxamide
CID 119061752
2-methyl-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 77095447
1-[2-(cyclopropylmethyl)pyrazol-3-yl]-3-[(1S)-3-(2-methylimidazol-1-yl)-1-phenylpropyl]urea
CID 97434130
N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 77088444
N-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide
CID 91638874
N-(3-hydroxy-3-phenylpropyl)-4-(2-methylimidazol-1-yl)butanamide
CID 111471950
1-[3-(2-methylimidazol-1-yl)propyl]-3-[(1S)-2-methylsulfanyl-1-phenylethyl]urea
CID 97317498
3-[(2-pyrazol-1-ylacetyl)amino]-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 119189866
6-(2-aminoethyl)-N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]pyrimidin-4-amine
CID 46998060

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of formic acid;N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-pyrazol-1-ylacetamide (CID 154910019) is formic acid;N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for formic acid;N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for formic acid;N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-pyrazol-1-ylacetamide is Cc1nccn1CCC(NC(=O)Cn1cccn1)c1ccccc1.O=CO.
What is the InChIKey of formic acid;N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-pyrazol-1-ylacetamide?
The InChIKey is QSUMTXIHCBQCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O.CH2O2/c1-15-19-10-13-22(15)12-8-17(16-6-3-2-4-7-16)21-18(24)14-23-11-5-9-20-23;2-1-3/h2-7,9-11,13,17H,8,12,14H2,1H3,(H,21,24);1H,(H,2,3).
What are the key properties of formic acid;N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-pyrazol-1-ylacetamide?
formic acid;N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-pyrazol-1-ylacetamide has a molecular weight of 369.43 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 154910019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).