N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-4-prop-2-enylpiperazine-1-carboxamide

C19H25N5O — CID 126432931

IUPACN-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-4-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCN1CCN(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)CC1
InChIInChI=1S/C19H25N5O/c1-2-10-22-12-14-23(15-13-22)19(25)21-18(16-24-11-6-9-20-24)17-7-4-3-5-8-17/h2-9,11,18H,1,10,12-16H2,(H,21,25)/t18-/m0/s1
InChIKeyFUIYTKVQPXRNJA-SFHVURJKSA-N
MW339.44 g/mol
LogP2.14
Rot. Bonds6

About N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-4-prop-2-enylpiperazine-1-carboxamide

N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-4-prop-2-enylpiperazine-1-carboxamide (PubChem CID 126432931) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-4-prop-2-enylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-4-prop-2-enylpiperazine-1-carboxamide
PubChem CID126432931
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-4-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCN1CCN(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)CC1
InChIInChI=1S/C19H25N5O/c1-2-10-22-12-14-23(15-13-22)19(25)21-18(16-24-11-6-9-20-24)17-7-4-3-5-8-17/h2-9,11,18H,1,10,12-16H2,(H,21,25)/t18-/m0/s1
InChIKeyFUIYTKVQPXRNJA-SFHVURJKSA-N
XLogP2.14
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-4-prop-2-enylpiperazine-1-carboxamide?
The IUPAC name of N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-4-prop-2-enylpiperazine-1-carboxamide (CID 126432931) is N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-4-prop-2-enylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-4-prop-2-enylpiperazine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-4-prop-2-enylpiperazine-1-carboxamide is C=CCN1CCN(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)CC1.
What is the InChIKey of N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-4-prop-2-enylpiperazine-1-carboxamide?
The InChIKey is FUIYTKVQPXRNJA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25N5O/c1-2-10-22-12-14-23(15-13-22)19(25)21-18(16-24-11-6-9-20-24)17-7-4-3-5-8-17/h2-9,11,18H,1,10,12-16H2,(H,21,25)/t18-/m0/s1.
What are the key properties of N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-4-prop-2-enylpiperazine-1-carboxamide?
N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-4-prop-2-enylpiperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-4-prop-2-enylpiperazine-1-carboxamide is sourced from PubChem (CID 126432931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).