N-[3-(4-methylpyrazol-1-yl)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide

C15H24F3N5O — CID 71861954

IUPACN-[3-(4-methylpyrazol-1-yl)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
SMILESCc1cnn(CCCNC(=O)N2CCN(C(C)C(F)(F)F)CC2)c1
InChIInChI=1S/C15H24F3N5O/c1-12-10-20-23(11-12)5-3-4-19-14(24)22-8-6-21(7-9-22)13(2)15(16,17)18/h10-11,13H,3-9H2,1-2H3,(H,19,24)
InChIKeyYYNIEHDSFOIABI-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.86
Rot. Bonds5

About N-[3-(4-methylpyrazol-1-yl)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide

N-[3-(4-methylpyrazol-1-yl)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide (PubChem CID 71861954) has the molecular formula C15H24F3N5O and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[3-(4-methylpyrazol-1-yl)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpyrazol-1-yl)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
PubChem CID71861954
Molecular FormulaC15H24F3N5O
Molecular Weight347.39 g/mol
Exact Mass347.19
IUPAC NameN-[3-(4-methylpyrazol-1-yl)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
SMILESCc1cnn(CCCNC(=O)N2CCN(C(C)C(F)(F)F)CC2)c1
InChIInChI=1S/C15H24F3N5O/c1-12-10-20-23(11-12)5-3-4-19-14(24)22-8-6-21(7-9-22)13(2)15(16,17)18/h10-11,13H,3-9H2,1-2H3,(H,19,24)
InChIKeyYYNIEHDSFOIABI-UHFFFAOYSA-N
XLogP1.86
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpyrazol-1-yl)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-[3-(4-methylpyrazol-1-yl)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide (CID 71861954) is N-[3-(4-methylpyrazol-1-yl)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3-(4-methylpyrazol-1-yl)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[3-(4-methylpyrazol-1-yl)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide is Cc1cnn(CCCNC(=O)N2CCN(C(C)C(F)(F)F)CC2)c1.
What is the InChIKey of N-[3-(4-methylpyrazol-1-yl)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
The InChIKey is YYNIEHDSFOIABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N5O/c1-12-10-20-23(11-12)5-3-4-19-14(24)22-8-6-21(7-9-22)13(2)15(16,17)18/h10-11,13H,3-9H2,1-2H3,(H,19,24).
What are the key properties of N-[3-(4-methylpyrazol-1-yl)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
N-[3-(4-methylpyrazol-1-yl)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpyrazol-1-yl)propyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 71861954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).