3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-pyrazole-4-carboxamide

C22H32F3N5O4 — CID 10128107

IUPAC3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(C)C
InChIInChI=1S/C22H32F3N5O4/c1-10(2)16(18(31)22(23,24)25)26-19(32)14-8-7-9-30(14)21(34)17(11(3)4)27-20(33)15-12(5)28-29-13(15)6/h10-11,14,16-17H,7-9H2,1-6H3,(H,26,32)(H,27,33)(H,28,29)/t14-,16-,17-/m0/s1
InChIKeyWOCYWVXHKFHHTN-XIRDDKMYSA-N
MW487.52 g/mol
LogP2.04
Rot. Bonds8

About 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 10128107) has the molecular formula C22H32F3N5O4 and a molecular weight of 487.52 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID10128107
Molecular FormulaC22H32F3N5O4
Molecular Weight487.52 g/mol
Exact Mass487.24
IUPAC Name3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(C)C
InChIInChI=1S/C22H32F3N5O4/c1-10(2)16(18(31)22(23,24)25)26-19(32)14-8-7-9-30(14)21(34)17(11(3)4)27-20(33)15-12(5)28-29-13(15)6/h10-11,14,16-17H,7-9H2,1-6H3,(H,26,32)(H,27,33)(H,28,29)/t14-,16-,17-/m0/s1
InChIKeyWOCYWVXHKFHHTN-XIRDDKMYSA-N
XLogP2.04
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.52
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-pyrazole-4-carboxamide (CID 10128107) is 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(C)C.
What is the InChIKey of 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is WOCYWVXHKFHHTN-XIRDDKMYSA-N. The full InChI is InChI=1S/C22H32F3N5O4/c1-10(2)16(18(31)22(23,24)25)26-19(32)14-8-7-9-30(14)21(34)17(11(3)4)27-20(33)15-12(5)28-29-13(15)6/h10-11,14,16-17H,7-9H2,1-6H3,(H,26,32)(H,27,33)(H,28,29)/t14-,16-,17-/m0/s1.
What are the key properties of 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 487.52 g/mol, XLogP of 2.04, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 10128107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).