N-(2-hydroxyethyl)-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-phenylpyrazole-3-carboxamide

C18H21N5O2 — CID 77079286

IUPACN-(2-hydroxyethyl)-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-phenylpyrazole-3-carboxamide
SMILESCn1ccnc1CN(CCO)C(=O)c1cc(-c2ccccc2)n(C)n1
InChIInChI=1S/C18H21N5O2/c1-21-9-8-19-17(21)13-23(10-11-24)18(25)15-12-16(22(2)20-15)14-6-4-3-5-7-14/h3-9,12,24H,10-11,13H2,1-2H3
InChIKeyKHCBEGOJCCMFHS-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.46
Rot. Bonds6

About N-(2-hydroxyethyl)-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-phenylpyrazole-3-carboxamide

N-(2-hydroxyethyl)-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-phenylpyrazole-3-carboxamide (PubChem CID 77079286) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-phenylpyrazole-3-carboxamide
PubChem CID77079286
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-(2-hydroxyethyl)-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-phenylpyrazole-3-carboxamide
SMILESCn1ccnc1CN(CCO)C(=O)c1cc(-c2ccccc2)n(C)n1
InChIInChI=1S/C18H21N5O2/c1-21-9-8-19-17(21)13-23(10-11-24)18(25)15-12-16(22(2)20-15)14-6-4-3-5-7-14/h3-9,12,24H,10-11,13H2,1-2H3
InChIKeyKHCBEGOJCCMFHS-UHFFFAOYSA-N
XLogP1.46
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-1-methyl-5-phenylpyrazole-3-carboxamide
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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)-N-[(1-methylimidazol-2-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide
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N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide
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N-[(1-methylimidazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 42780924
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 131926635
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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-phenylpyrazole-3-carboxamide (CID 77079286) is N-(2-hydroxyethyl)-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-phenylpyrazole-3-carboxamide is Cn1ccnc1CN(CCO)C(=O)c1cc(-c2ccccc2)n(C)n1.
What is the InChIKey of N-(2-hydroxyethyl)-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-phenylpyrazole-3-carboxamide?
The InChIKey is KHCBEGOJCCMFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-21-9-8-19-17(21)13-23(10-11-24)18(25)15-12-16(22(2)20-15)14-6-4-3-5-7-14/h3-9,12,24H,10-11,13H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-phenylpyrazole-3-carboxamide?
N-(2-hydroxyethyl)-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-phenylpyrazole-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 77079286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).