5-chloro-N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide

C19H26ClFN4O — CID 51134456

IUPAC5-chloro-N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
SMILESCCN(CCNC(=O)c1c(C)nn(Cc2ccc(F)cc2)c1Cl)C(C)C
InChIInChI=1S/C19H26ClFN4O/c1-5-24(13(2)3)11-10-22-19(26)17-14(4)23-25(18(17)20)12-15-6-8-16(21)9-7-15/h6-9,13H,5,10-12H2,1-4H3,(H,22,26)
InChIKeyRRRXDGXYIZZIHI-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.49
Rot. Bonds8

About 5-chloro-N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide

5-chloro-N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide (PubChem CID 51134456) has the molecular formula C19H26ClFN4O and a molecular weight of 380.90 g/mol. Its IUPAC name is 5-chloro-N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
PubChem CID51134456
Molecular FormulaC19H26ClFN4O
Molecular Weight380.90 g/mol
Exact Mass380.18
IUPAC Name5-chloro-N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
SMILESCCN(CCNC(=O)c1c(C)nn(Cc2ccc(F)cc2)c1Cl)C(C)C
InChIInChI=1S/C19H26ClFN4O/c1-5-24(13(2)3)11-10-22-19(26)17-14(4)23-25(18(17)20)12-15-6-8-16(21)9-7-15/h6-9,13H,5,10-12H2,1-4H3,(H,22,26)
InChIKeyRRRXDGXYIZZIHI-UHFFFAOYSA-N
XLogP3.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide (CID 51134456) is 5-chloro-N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide is CCN(CCNC(=O)c1c(C)nn(Cc2ccc(F)cc2)c1Cl)C(C)C.
What is the InChIKey of 5-chloro-N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is RRRXDGXYIZZIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClFN4O/c1-5-24(13(2)3)11-10-22-19(26)17-14(4)23-25(18(17)20)12-15-6-8-16(21)9-7-15/h6-9,13H,5,10-12H2,1-4H3,(H,22,26).
What are the key properties of 5-chloro-N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide?
5-chloro-N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 380.90 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[ethyl(propan-2-yl)amino]ethyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 51134456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).