2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-hydroxyethyl)-5-methylbenzamide

C19H25N3O2 — CID 138000648

IUPAC2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-hydroxyethyl)-5-methylbenzamide
SMILESCCn1cc(CN(CCO)C(=O)c2cc(C)ccc2C2CC2)cn1
InChIInChI=1S/C19H25N3O2/c1-3-22-13-15(11-20-22)12-21(8-9-23)19(24)18-10-14(2)4-7-17(18)16-5-6-16/h4,7,10-11,13,16,23H,3,5-6,8-9,12H2,1-2H3
InChIKeyONKDTUZVQYPKOX-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.72
Rot. Bonds7

About 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-hydroxyethyl)-5-methylbenzamide

2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-hydroxyethyl)-5-methylbenzamide (PubChem CID 138000648) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-hydroxyethyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-hydroxyethyl)-5-methylbenzamide
PubChem CID138000648
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-hydroxyethyl)-5-methylbenzamide
SMILESCCn1cc(CN(CCO)C(=O)c2cc(C)ccc2C2CC2)cn1
InChIInChI=1S/C19H25N3O2/c1-3-22-13-15(11-20-22)12-21(8-9-23)19(24)18-10-14(2)4-7-17(18)16-5-6-16/h4,7,10-11,13,16,23H,3,5-6,8-9,12H2,1-2H3
InChIKeyONKDTUZVQYPKOX-UHFFFAOYSA-N
XLogP2.72
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2H-phthalazin-1-one
CID 156151145
WO2022115301, Example 24
CID 163382469
(1R)-7-(1,3-dihydroxypropan-2-yl)-1,3-dimethyl-5-(1-methylpyrazol-4-yl)-1H-3-benzazepin-2-one
CID 168299842
2-Methyl-4-(1-methylpyrazol-4-yl)isoquinolin-1-one
CID 118022266
(4-tert-butylphenyl){1-[(2E)-3-(1-methyl-1H-pyrazol-4-yl)-2-propenoyl]-3-piperidinyl}methanone
CID 16189784
2-(1-{(3R,6R)-1-[(2-Cyclopropylphenyl)carbonyl]-6-methylpiperidin-3-yl}-1H-pyrazol-4-yl)propan-2-ol
CID 121344807
US10617680, Example 148
CID 135355243
US10617680, Example 151
CID 135355275
US10617680, Example 8
CID 135355419
2-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-(1-methylpyrazol-4-yl)-3,4-dihydroisoquinolin-1-one
CID 139467871
WO2022115301, Example 15
CID 163382171
US11242333, Example 93
CID 163407726

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-hydroxyethyl)-5-methylbenzamide?
The IUPAC name of 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-hydroxyethyl)-5-methylbenzamide (CID 138000648) is 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-hydroxyethyl)-5-methylbenzamide.
What is the SMILES notation for 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-hydroxyethyl)-5-methylbenzamide?
The canonical SMILES for 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-hydroxyethyl)-5-methylbenzamide is CCn1cc(CN(CCO)C(=O)c2cc(C)ccc2C2CC2)cn1.
What is the InChIKey of 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-hydroxyethyl)-5-methylbenzamide?
The InChIKey is ONKDTUZVQYPKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-22-13-15(11-20-22)12-21(8-9-23)19(24)18-10-14(2)4-7-17(18)16-5-6-16/h4,7,10-11,13,16,23H,3,5-6,8-9,12H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-hydroxyethyl)-5-methylbenzamide?
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-hydroxyethyl)-5-methylbenzamide has a molecular weight of 327.43 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-hydroxyethyl)-5-methylbenzamide is sourced from PubChem (CID 138000648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).