2-(2-fluorophenyl)-N-[1-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]pyrazol-4-yl]acetamide

C19H24FN5O2 — CID 92635036

IUPAC2-(2-fluorophenyl)-N-[1-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]pyrazol-4-yl]acetamide
SMILESCN1CCC(NC(=O)Cn2cc(NC(=O)Cc3ccccc3F)cn2)CC1
InChIInChI=1S/C19H24FN5O2/c1-24-8-6-15(7-9-24)22-19(27)13-25-12-16(11-21-25)23-18(26)10-14-4-2-3-5-17(14)20/h2-5,11-12,15H,6-10,13H2,1H3,(H,22,27)(H,23,26)
InChIKeyBLUBZVSOHWCOHK-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.41
Rot. Bonds6

About 2-(2-fluorophenyl)-N-[1-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]pyrazol-4-yl]acetamide

2-(2-fluorophenyl)-N-[1-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]pyrazol-4-yl]acetamide (PubChem CID 92635036) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[1-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[1-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]pyrazol-4-yl]acetamide
PubChem CID92635036
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name2-(2-fluorophenyl)-N-[1-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]pyrazol-4-yl]acetamide
SMILESCN1CCC(NC(=O)Cn2cc(NC(=O)Cc3ccccc3F)cn2)CC1
InChIInChI=1S/C19H24FN5O2/c1-24-8-6-15(7-9-24)22-19(27)13-25-12-16(11-21-25)23-18(26)10-14-4-2-3-5-17(14)20/h2-5,11-12,15H,6-10,13H2,1H3,(H,22,27)(H,23,26)
InChIKeyBLUBZVSOHWCOHK-UHFFFAOYSA-N
XLogP1.41
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-N-[1-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide
CID 110248577
N-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]pyrazol-4-yl]-2-(2-fluorophenyl)acetamide
CID 92634677
1-[2-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502809
2-[4-[(2-aminophenyl)methylamino]pyrazol-1-yl]-N-cyclopropylacetamide
CID 66419223
methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821770
2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2-phenylpropanamide;hydrochloride
CID 120589040
2-(2-fluorophenyl)-N-(1-methylpiperidin-3-yl)acetamide
CID 47344420
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19399998
2-(2-fluorophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 110735879
4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 63307715
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide
CID 49055281
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-3-(ethylamino)propanamide
CID 62836061

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[1-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[1-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]pyrazol-4-yl]acetamide (CID 92635036) is 2-(2-fluorophenyl)-N-[1-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[1-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[1-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]pyrazol-4-yl]acetamide is CN1CCC(NC(=O)Cn2cc(NC(=O)Cc3ccccc3F)cn2)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[1-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]pyrazol-4-yl]acetamide?
The InChIKey is BLUBZVSOHWCOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-24-8-6-15(7-9-24)22-19(27)13-25-12-16(11-21-25)23-18(26)10-14-4-2-3-5-17(14)20/h2-5,11-12,15H,6-10,13H2,1H3,(H,22,27)(H,23,26).
What are the key properties of 2-(2-fluorophenyl)-N-[1-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]pyrazol-4-yl]acetamide?
2-(2-fluorophenyl)-N-[1-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]pyrazol-4-yl]acetamide has a molecular weight of 373.43 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[1-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 92635036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).