4-(4-fluorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide

C17H21FN6O2 — CID 56762171

IUPAC4-(4-fluorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide
SMILESCn1cc(NC(=O)CNC(=O)N2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C17H21FN6O2/c1-22-12-14(10-20-22)21-16(25)11-19-17(26)24-8-6-23(7-9-24)15-4-2-13(18)3-5-15/h2-5,10,12H,6-9,11H2,1H3,(H,19,26)(H,21,25)
InChIKeyLHCSIDRZJWCJTK-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.03
Rot. Bonds4

About 4-(4-fluorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide

4-(4-fluorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide (PubChem CID 56762171) has the molecular formula C17H21FN6O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide
PubChem CID56762171
Molecular FormulaC17H21FN6O2
Molecular Weight360.39 g/mol
Exact Mass360.17
IUPAC Name4-(4-fluorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide
SMILESCn1cc(NC(=O)CNC(=O)N2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C17H21FN6O2/c1-22-12-14(10-20-22)21-16(25)11-19-17(26)24-8-6-23(7-9-24)15-4-2-13(18)3-5-15/h2-5,10,12H,6-9,11H2,1H3,(H,19,26)(H,21,25)
InChIKeyLHCSIDRZJWCJTK-UHFFFAOYSA-N
XLogP1.03
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 2807997
Acetamide, N-(1-phenylpyrazol-4-yl)-
CID 200720
N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
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(6S,7R)-6,7-dimethyl-3-(2-oxopyrrolidin-1-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484189
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309752
2-(1-isobutyl-3-oxo-2-piperazinyl)-N-[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 16187839
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 16192341
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 16286690
N-(3,4-difluorophenyl)-1-(1H-pyrazol-1-ylacetyl)-3-piperidinamine
CID 24790849
1-(2-fluorophenyl)-4-{1-[(3-methyl-1H-pyrazol-1-yl)acetyl]-3-piperidinyl}piperazine
CID 24791424
1-(4-fluorophenyl)-4-{1-[(3-methyl-1H-pyrazol-1-yl)acetyl]-3-piperidinyl}piperazine
CID 24791750
1-(2-Fluorophenyl)-3-(2-((5-(pyrrolidin-1-yl)pyridazin-3-yl)amino)ethyl)urea
CID 71807479

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide (CID 56762171) is 4-(4-fluorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide is Cn1cc(NC(=O)CNC(=O)N2CCN(c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide?
The InChIKey is LHCSIDRZJWCJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O2/c1-22-12-14(10-20-22)21-16(25)11-19-17(26)24-8-6-23(7-9-24)15-4-2-13(18)3-5-15/h2-5,10,12H,6-9,11H2,1H3,(H,19,26)(H,21,25).
What are the key properties of 4-(4-fluorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide?
4-(4-fluorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide is sourced from PubChem (CID 56762171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).