N-cyclohexyl-3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N-ethyl-1H-pyrazole-5-carboxamide

C24H31F2N5O3 — CID 10390182

IUPACN-cyclohexyl-3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N-ethyl-1H-pyrazole-5-carboxamide
SMILESCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(C(=O)N(CC)C2CCCCC2)[nH]n1
InChIInChI=1S/C24H31F2N5O3/c1-3-19(27-22(32)12-15-10-16(25)13-17(26)11-15)23(33)28-21-14-20(29-30-21)24(34)31(4-2)18-8-6-5-7-9-18/h10-11,13-14,18-19H,3-9,12H2,1-2H3,(H,27,32)(H2,28,29,30,33)
InChIKeyWBAQFMBSZAVHAD-UHFFFAOYSA-N
MW475.54 g/mol
LogP3.56
Rot. Bonds9

About N-cyclohexyl-3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N-ethyl-1H-pyrazole-5-carboxamide

N-cyclohexyl-3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N-ethyl-1H-pyrazole-5-carboxamide (PubChem CID 10390182) has the molecular formula C24H31F2N5O3 and a molecular weight of 475.54 g/mol. Its IUPAC name is N-cyclohexyl-3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N-ethyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N-ethyl-1H-pyrazole-5-carboxamide
PubChem CID10390182
Molecular FormulaC24H31F2N5O3
Molecular Weight475.54 g/mol
Exact Mass475.24
IUPAC NameN-cyclohexyl-3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N-ethyl-1H-pyrazole-5-carboxamide
SMILESCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(C(=O)N(CC)C2CCCCC2)[nH]n1
InChIInChI=1S/C24H31F2N5O3/c1-3-19(27-22(32)12-15-10-16(25)13-17(26)11-15)23(33)28-21-14-20(29-30-21)24(34)31(4-2)18-8-6-5-7-9-18/h10-11,13-14,18-19H,3-9,12H2,1-2H3,(H,27,32)(H2,28,29,30,33)
InChIKeyWBAQFMBSZAVHAD-UHFFFAOYSA-N
XLogP3.56
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.54
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N-ethyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N-ethyl-1H-pyrazole-5-carboxamide (CID 10390182) is N-cyclohexyl-3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N-ethyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N-ethyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N-ethyl-1H-pyrazole-5-carboxamide is CCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cc(C(=O)N(CC)C2CCCCC2)[nH]n1.
What is the InChIKey of N-cyclohexyl-3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N-ethyl-1H-pyrazole-5-carboxamide?
The InChIKey is WBAQFMBSZAVHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2N5O3/c1-3-19(27-22(32)12-15-10-16(25)13-17(26)11-15)23(33)28-21-14-20(29-30-21)24(34)31(4-2)18-8-6-5-7-9-18/h10-11,13-14,18-19H,3-9,12H2,1-2H3,(H,27,32)(H2,28,29,30,33).
What are the key properties of N-cyclohexyl-3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N-ethyl-1H-pyrazole-5-carboxamide?
N-cyclohexyl-3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N-ethyl-1H-pyrazole-5-carboxamide has a molecular weight of 475.54 g/mol, XLogP of 3.56, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]-N-ethyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 10390182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).