1-benzyl-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrazole-4-carboxamide

C18H21N5O2 — CID 74247387

IUPAC1-benzyl-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrazole-4-carboxamide
SMILESCn1ccnc1CN(CCO)C(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H21N5O2/c1-21-8-7-19-17(21)14-22(9-10-24)18(25)16-11-20-23(13-16)12-15-5-3-2-4-6-15/h2-8,11,13,24H,9-10,12,14H2,1H3
InChIKeyFDTBBBNWSHMDIS-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.30
Rot. Bonds7

About 1-benzyl-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrazole-4-carboxamide

1-benzyl-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 74247387) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-benzyl-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID74247387
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-benzyl-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrazole-4-carboxamide
SMILESCn1ccnc1CN(CCO)C(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H21N5O2/c1-21-8-7-19-17(21)14-22(9-10-24)18(25)16-11-20-23(13-16)12-15-5-3-2-4-6-15/h2-8,11,13,24H,9-10,12,14H2,1H3
InChIKeyFDTBBBNWSHMDIS-UHFFFAOYSA-N
XLogP1.30
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 74234797
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CID 56739353
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide
CID 74239085
N-(2-hydroxyethyl)-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-phenylpyrazole-3-carboxamide
CID 77079286
1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide
CID 86926836
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 70707028
N-benzyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110020225
1-(2-hydroxyethyl)-3-[(2R)-2-(N-methylanilino)propyl]-1-[(1-methylimidazol-2-yl)methyl]urea
CID 125436502
N-benzyl-N-[(1-methylimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 42782261
N-[(1-methylimidazol-2-yl)methyl]-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 42782275
2-[4-[[4-[2-[benzyl(2-hydroxyethyl)amino]acetyl]pyrazol-1-yl]methyl]phenyl]-1-(1-benzylpyrazol-4-yl)ethanone
CID 166122307
N-[(1-methylimidazol-2-yl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 42784648

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrazole-4-carboxamide (CID 74247387) is 1-benzyl-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrazole-4-carboxamide is Cn1ccnc1CN(CCO)C(=O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is FDTBBBNWSHMDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-21-8-7-19-17(21)14-22(9-10-24)18(25)16-11-20-23(13-16)12-15-5-3-2-4-6-15/h2-8,11,13,24H,9-10,12,14H2,1H3.
What are the key properties of 1-benzyl-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrazole-4-carboxamide?
1-benzyl-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 74247387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).