N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride

C19H26Cl2FN5O2 — CID 120735854

IUPACN-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride
SMILESCC(C(=O)N(C)CC(=O)N1CCNCC1c1cccc(F)c1)n1cccn1.Cl.Cl
InChIInChI=1S/C19H24FN5O2.2ClH/c1-14(25-9-4-7-22-25)19(27)23(2)13-18(26)24-10-8-21-12-17(24)15-5-3-6-16(20)11-15;;/h3-7,9,11,14,17,21H,8,10,12-13H2,1-2H3;2*1H
InChIKeyVAOVVRKDUMNDQL-UHFFFAOYSA-N
MW446.35 g/mol
LogP2.06
Rot. Bonds5

About N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride

N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride (PubChem CID 120735854) has the molecular formula C19H26Cl2FN5O2 and a molecular weight of 446.35 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride
PubChem CID120735854
Molecular FormulaC19H26Cl2FN5O2
Molecular Weight446.35 g/mol
Exact Mass445.14
IUPAC NameN-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride
SMILESCC(C(=O)N(C)CC(=O)N1CCNCC1c1cccc(F)c1)n1cccn1.Cl.Cl
InChIInChI=1S/C19H24FN5O2.2ClH/c1-14(25-9-4-7-22-25)19(27)23(2)13-18(26)24-10-8-21-12-17(24)15-5-3-6-16(20)11-15;;/h3-7,9,11,14,17,21H,8,10,12-13H2,1-2H3;2*1H
InChIKeyVAOVVRKDUMNDQL-UHFFFAOYSA-N
XLogP2.06
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-fluorophenyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 120737134
N-methyl-N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-oxoethyl]-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 120880497
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[methyl(propyl)amino]ethanone
CID 120735825
2-[benzyl(methyl)amino]-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120737496
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 120737290
3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one
CID 120736504
3-(2-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 120736221
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120736155
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 120737437
4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 120736192
N,N-diethyl-2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethanesulfonamide;hydrochloride
CID 120737225
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride?
The IUPAC name of N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride (CID 120735854) is N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride is CC(C(=O)N(C)CC(=O)N1CCNCC1c1cccc(F)c1)n1cccn1.Cl.Cl.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride?
The InChIKey is VAOVVRKDUMNDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2.2ClH/c1-14(25-9-4-7-22-25)19(27)23(2)13-18(26)24-10-8-21-12-17(24)15-5-3-6-16(20)11-15;;/h3-7,9,11,14,17,21H,8,10,12-13H2,1-2H3;2*1H.
What are the key properties of N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride?
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride has a molecular weight of 446.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-2-pyrazol-1-ylpropanamide;dihydrochloride is sourced from PubChem (CID 120735854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).