1-(2,6-difluorophenyl)-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-4-methylpyrazole-3-carboxamide

C19H24F2N4O2 — CID 119044683

IUPAC1-(2,6-difluorophenyl)-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-4-methylpyrazole-3-carboxamide
SMILESCc1cn(-c2c(F)cccc2F)nc1C(=O)NCC1CCN(CCO)CC1
InChIInChI=1S/C19H24F2N4O2/c1-13-12-25(18-15(20)3-2-4-16(18)21)23-17(13)19(27)22-11-14-5-7-24(8-6-14)9-10-26/h2-4,12,14,26H,5-11H2,1H3,(H,22,27)
InChIKeyOTKFVEBHXWRHTO-UHFFFAOYSA-N
MW378.42 g/mol
LogP1.89
Rot. Bonds6

About 1-(2,6-difluorophenyl)-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-4-methylpyrazole-3-carboxamide

1-(2,6-difluorophenyl)-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-4-methylpyrazole-3-carboxamide (PubChem CID 119044683) has the molecular formula C19H24F2N4O2 and a molecular weight of 378.42 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-4-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-4-methylpyrazole-3-carboxamide
PubChem CID119044683
Molecular FormulaC19H24F2N4O2
Molecular Weight378.42 g/mol
Exact Mass378.19
IUPAC Name1-(2,6-difluorophenyl)-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-4-methylpyrazole-3-carboxamide
SMILESCc1cn(-c2c(F)cccc2F)nc1C(=O)NCC1CCN(CCO)CC1
InChIInChI=1S/C19H24F2N4O2/c1-13-12-25(18-15(20)3-2-4-16(18)21)23-17(13)19(27)22-11-14-5-7-24(8-6-14)9-10-26/h2-4,12,14,26H,5-11H2,1H3,(H,22,27)
InChIKeyOTKFVEBHXWRHTO-UHFFFAOYSA-N
XLogP1.89
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

trans-N-(4-((R)-1-amino-2-(2,5-difluorophenyl)ethyl)cyclohexyl)-N,1-dimethyl-1H-pyrazole-3-carboxamide
CID 53320180
N-{[1-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-(1-isobutyl-3-oxopiperazin-2-yl)acetamide
CID 16187402
1-(2,4-difluorophenyl)-N-(3-methoxypropyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 16023243
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide
CID 112371603
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-methylpyrazole-3-carboxamide
CID 117683146
US9670210, Example 108 2-(3-{[4-(methoxymethyl)-4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]carbonyl}-1H-pyrazol-1-yl)ethanol
CID 118302752
4-[(2,6-Difluorobenzoyl)amino]-1-ethyl-N-isobutyl-1H-pyrazole-3-carboxamide
CID 4865186
4-fluoro-N-({1-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methyl)benzamide
CID 16191644
N-(4-fluorophenyl)-1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-3-piperidinamine
CID 24817875
2-(4-cyclopropyl-1-(4-fluorophenyl)-7-oxo-1H-pyrazolo[3,4-d]pyridazin-6(7H)-yl)-N-(2-methoxyethyl)acetamide
CID 30607608
2-(1-(tert-butyl)-4-methyl-7-oxo-1H-pyrazolo[3,4-d]pyridazin-6(7H)-yl)-N-(2,4-difluorophenyl)acetamide
CID 44036833
1-[1-(4-Fluorophenyl)pyrazole-3-carbonyl]piperidine-4-carboxamide
CID 45816032

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-4-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(2,6-difluorophenyl)-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-4-methylpyrazole-3-carboxamide (CID 119044683) is 1-(2,6-difluorophenyl)-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-4-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-4-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-4-methylpyrazole-3-carboxamide is Cc1cn(-c2c(F)cccc2F)nc1C(=O)NCC1CCN(CCO)CC1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-4-methylpyrazole-3-carboxamide?
The InChIKey is OTKFVEBHXWRHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O2/c1-13-12-25(18-15(20)3-2-4-16(18)21)23-17(13)19(27)22-11-14-5-7-24(8-6-14)9-10-26/h2-4,12,14,26H,5-11H2,1H3,(H,22,27).
What are the key properties of 1-(2,6-difluorophenyl)-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-4-methylpyrazole-3-carboxamide?
1-(2,6-difluorophenyl)-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-4-methylpyrazole-3-carboxamide has a molecular weight of 378.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-4-methylpyrazole-3-carboxamide is sourced from PubChem (CID 119044683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).