N-(4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide

C16H20FN5O — CID 71783838

IUPACN-(4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C16H20FN5O/c17-14-2-4-15(5-3-14)19-16(23)21-11-8-20(9-12-21)10-13-22-7-1-6-18-22/h1-7H,8-13H2,(H,19,23)
InChIKeyYMOKJTMEXKBALB-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.87
Rot. Bonds4

About N-(4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide

N-(4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide (PubChem CID 71783838) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
PubChem CID71783838
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC NameN-(4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C16H20FN5O/c17-14-2-4-15(5-3-14)19-16(23)21-11-8-20(9-12-21)10-13-22-7-1-6-18-22/h1-7H,8-13H2,(H,19,23)
InChIKeyYMOKJTMEXKBALB-UHFFFAOYSA-N
XLogP1.87
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2812808
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CID 24819297
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
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N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
CID 118524339
N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 123583803
(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-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
N-[2-(1-phenylpyrazol-3-yl)ethyl]azetidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide (CID 71783838) is N-(4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide?
The InChIKey is YMOKJTMEXKBALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c17-14-2-4-15(5-3-14)19-16(23)21-11-8-20(9-12-21)10-13-22-7-1-6-18-22/h1-7H,8-13H2,(H,19,23).
What are the key properties of N-(4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide?
N-(4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 71783838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).