N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide

C17H19N5O2 — CID 74239085

IUPACN-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide
SMILESCn1ccnc1CN(CCO)C(=O)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C17H19N5O2/c1-21-9-8-18-16(21)12-22(10-11-23)17(24)14-4-2-13(3-5-14)15-6-7-19-20-15/h2-9,23H,10-12H2,1H3,(H,19,20)
InChIKeyBHXOCDRWQMFOLB-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.44
Rot. Bonds6

About N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide

N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide (PubChem CID 74239085) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide
PubChem CID74239085
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide
SMILESCn1ccnc1CN(CCO)C(=O)c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C17H19N5O2/c1-21-9-8-18-16(21)12-22(10-11-23)17(24)14-4-2-13(3-5-14)15-6-7-19-20-15/h2-9,23H,10-12H2,1H3,(H,19,20)
InChIKeyBHXOCDRWQMFOLB-UHFFFAOYSA-N
XLogP1.44
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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1-benzyl-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrazole-4-carboxamide
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N-(2-hydroxyethyl)-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-phenylpyrazole-3-carboxamide
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N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
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N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
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(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
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1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[(1R)-1-(4-propan-2-ylphenyl)ethyl]urea
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1-(2-hydroxyethyl)-3-[(2R)-2-(N-methylanilino)propyl]-1-[(1-methylimidazol-2-yl)methyl]urea
CID 125436502
3-[(1-ethylcyclobutyl)methyl]-1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]urea
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N-[(1-methylimidazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide (CID 74239085) is N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide is Cn1ccnc1CN(CCO)C(=O)c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide?
The InChIKey is BHXOCDRWQMFOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-21-9-8-18-16(21)12-22(10-11-23)17(24)14-4-2-13(3-5-14)15-6-7-19-20-15/h2-9,23H,10-12H2,1H3,(H,19,20).
What are the key properties of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide?
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide has a molecular weight of 325.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 74239085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).